|
|
Line 3: |
Line 3: |
|
| |
|
| ===Catalysts=== | | ===Catalysts=== |
| <chemform smiles="C1C=C2C(C3C=CC([N+](C)(C)C)=CC=3)=C3C=CC4C(C5C=CC([N+](C)(C)C)=CC=5)=C5N6~[Fe](~Cl)7(~N2C=1C(C1C=CC([N+](C)(C)C)=CC=1)=C1N7=C(C(C2C=CC([N+](C)(C)C)=CC=2)=C6C=C5)C=C1)N3=4.[Cl-].[Cl-].[Cl-].[Cl-]" inchi="1S/C56H60N8.5ClH.Fe/c1-61(2,3)41-21-13-37(14-22-41)53-45-29-31-47(57-45)54(38-15-23-42(24-16-38)62(4,5)6)49-33-35-51(59-49)56(40-19-27-44(28-20-40)64(10,11)12)52-36-34-50(60-52)55(48-32-30-46(53)58-48)39-17-25-43(26-18-39)63(7,8)9;;;;;;/h13-36H,1-12H3;5*1H;/q+2;;;;;;+3/p-5/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-;;;;;;" inchikey="NRVILUOLTIKJEU-NGWNFTKISA-I" height="200px" width="300px" float="none">
| | <chemform smiles="C1C=C2C(C3C=CC([N+](C)(C)C)=CC=3)=C3C=CC4C(C5C=CC([N+](C)(C)C)=CC=5)=C5N6~[Fe+3](~[Cl-])7(~N2C=1C(C1C=CC([N+](C)(C)C)=CC=1)=C1N7=C(C(C2C=CC([N+](C)(C)C)=CC=2)=C6C=C5)C=C1)N3=4.[Cl-].[Cl-].[Cl-].[Cl-]" inchi="1S/C56H60N8.5ClH.Fe/c1-61(2,3)41-21-13-37(14-22-41)53-45-29-31-47(57-45)54(38-15-23-42(24-16-38)62(4,5)6)49-33-35-51(59-49)56(40-19-27-44(28-20-40)64(10,11)12)52-36-34-50(60-52)55(48-32-30-46(53)58-48)39-17-25-43(26-18-39)63(7,8)9;;;;;;/h13-36H,1-12H3;5*1H;/q+2;;;;;;+5/p-5/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-;;;;;;" inchikey="LKNRTBVZMCBYCY-NGWNFTKISA-I" height="200px" width="300px" float="none"> |
| -INDIGO-01262316122D
| |
| | |
| 0 0 0 0 0 0 0 0 0 0 0 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 70 77 0 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 C 8.82458 -2.03516 0.0 0
| |
| M V30 2 C 9.15193 -2.99472 0.0 0
| |
| M V30 3 N 8.37913 -3.6265 0.0 0
| |
| M V30 4 C 7.56594 -3.043 0.0 0
| |
| M V30 5 C 7.83141 -2.06548 0.0 0
| |
| M V30 6 N 8.44637 -6.44835 0.0 0
| |
| M V30 7 C 9.23777 -7.06875 0.0 0
| |
| M V30 8 C 8.93579 -7.99833 0.0 0
| |
| M V30 9 C 7.93405 -7.99327 0.0 0
| |
| M V30 10 C 7.64317 -7.06214 0.0 0
| |
| M V30 11 C 6.33867 -4.31767 0.0 0
| |
| M V30 12 N 6.94211 -5.09119 0.0 0
| |
| M V30 13 C 6.36196 -5.86453 0.0 0
| |
| M V30 14 C 5.40724 -5.58552 0.0 0
| |
| M V30 15 C 5.40159 -4.60928 0.0 0
| |
| M V30 16 C 10.4691 -4.22399 0.0 0
| |
| M V30 17 C 11.4389 -4.48308 0.0 0
| |
| M V30 18 C 11.4729 -5.48395 0.0 0
| |
| M V30 19 C 10.5091 -5.80916 0.0 0
| |
| M V30 20 N 9.88708 -5.03599 0.0 0
| |
| M V30 21 C 6.61144 -3.35129 0.0 0
| |
| M V30 22 C 10.1427 -3.25672 0.0 0
| |
| M V30 23 C 10.2265 -6.78626 0.0 0
| |
| M V30 24 C 6.65457 -6.79167 0.0 0
| |
| M V30 25 C 5.89126 -2.65749 0.0 0
| |
| M V30 26 C 10.8257 -2.52634 0.0 0
| |
| M V30 27 C 5.96126 -7.51231 0.0 0
| |
| M V30 28 C 5.51501 -9.18408 0.0 0
| |
| M V30 29 C 6.22063 -8.47882 0.0 0
| |
| M V30 30 C 4.548 -8.92566 0.0 0
| |
| M V30 31 C 4.99038 -7.25286 0.0 0
| |
| M V30 32 C 4.2878 -7.96457 0.0 0
| |
| M V30 33 C 4.2195 -2.21125 0.0 0
| |
| M V30 34 C 4.92475 -2.91686 0.0 0
| |
| M V30 35 C 4.47791 -1.24424 0.0 0
| |
| M V30 36 C 6.15071 -1.68661 0.0 0
| |
| M V30 37 C 5.439 -0.984039 0.0 0
| |
| M V30 38 C 11.272 -0.854574 0.0 0
| |
| M V30 39 C 10.5664 -1.55983 0.0 0
| |
| M V30 40 C 12.239 -1.11299 0.0 0
| |
| M V30 41 C 11.7966 -2.78579 0.0 0
| |
| M V30 42 C 12.4992 -2.07408 0.0 0
| |
| M V30 43 N 3.76965 -0.538284 0.0 0 CHG=1
| |
| M V30 44 N 12.9449 -0.404729 0.0 0 CHG=1
| |
| M V30 45 C 10.9325 -7.49452 0.0 0
| |
| M V30 46 C 12.6043 -7.94076 0.0 0
| |
| M V30 47 C 11.899 -7.23514 0.0 0
| |
| M V30 48 C 12.3458 -8.90777 0.0 0
| |
| M V30 49 C 10.673 -8.46539 0.0 0
| |
| M V30 50 C 11.3848 -9.16797 0.0 0
| |
| M V30 51 N 3.84205 -9.63392 0.0 0 CHG=1
| |
| M V30 52 N 13.0541 -9.61372 0.0 0 CHG=1
| |
| M V30 53 C 4.26965 0.327741 0.0 0
| |
| M V30 54 C 2.90363 -1.03828 0.0 0
| |
| M V30 55 C 3.06254 0.168823 0.0 0
| |
| M V30 56 C 12.4449 0.461297 0.0 0
| |
| M V30 57 C 13.811 -0.904729 0.0 0
| |
| M V30 58 C 13.652 0.302378 0.0 0
| |
| M V30 59 C 12.5541 -10.4797 0.0 0
| |
| M V30 60 C 13.9201 -9.11372 0.0 0
| |
| M V30 61 C 13.7612 -10.3208 0.0 0
| |
| M V30 62 C 2.97602 -9.13392 0.0 0
| |
| M V30 63 C 4.34205 -10.4999 0.0 0
| |
| M V30 64 C 3.13494 -10.341 0.0 0
| |
| M V30 65 Fe 8.425 -5.075 0.0 0
| |
| M V30 66 Cl 9.13211 -4.36789 0.0 0
| |
| M V30 67 Cl 13.05 -8.875 0.0 0 CHG=-1
| |
| M V30 68 Cl 3.9 -8.8 0.0 0 CHG=-1
| |
| M V30 69 Cl 3.8 -1.35 0.0 0 CHG=-1
| |
| M V30 70 Cl 12.975 -1.225 0.0 0 CHG=-1
| |
| M V30 END ATOM
| |
| M V30 BEGIN BOND
| |
| M V30 1 2 1 2
| |
| M V30 2 1 2 3
| |
| M V30 3 1 3 4
| |
| M V30 4 2 4 5
| |
| M V30 5 1 5 1
| |
| M V30 6 1 6 7
| |
| M V30 7 1 7 8
| |
| M V30 8 2 8 9
| |
| M V30 9 1 9 10
| |
| M V30 10 1 10 6
| |
| M V30 11 1 11 12
| |
| M V30 12 2 12 13
| |
| M V30 13 1 13 14
| |
| M V30 14 2 14 15
| |
| M V30 15 1 15 11
| |
| M V30 16 1 16 17
| |
| M V30 17 2 17 18
| |
| M V30 18 1 18 19
| |
| M V30 19 2 19 20
| |
| M V30 20 1 20 16
| |
| M V30 21 2 11 21
| |
| M V30 22 1 21 4
| |
| M V30 23 1 2 22
| |
| M V30 24 2 22 16
| |
| M V30 25 1 19 23
| |
| M V30 26 2 23 7
| |
| M V30 27 2 10 24
| |
| M V30 28 1 24 13
| |
| M V30 29 1 21 25
| |
| M V30 30 1 22 26
| |
| M V30 31 1 24 27
| |
| M V30 32 2 29 27
| |
| M V30 33 2 30 28
| |
| M V30 34 1 27 31
| |
| M V30 35 1 28 29
| |
| M V30 36 2 31 32
| |
| M V30 37 1 32 30
| |
| M V30 38 2 34 25
| |
| M V30 39 2 35 33
| |
| M V30 40 1 25 36
| |
| M V30 41 1 33 34
| |
| M V30 42 2 36 37
| |
| M V30 43 1 37 35
| |
| M V30 44 2 39 26
| |
| M V30 45 2 40 38
| |
| M V30 46 1 26 41
| |
| M V30 47 1 38 39
| |
| M V30 48 2 41 42
| |
| M V30 49 1 42 40
| |
| M V30 50 1 35 43
| |
| M V30 51 1 40 44
| |
| M V30 52 1 23 45
| |
| M V30 53 2 47 45
| |
| M V30 54 2 48 46
| |
| M V30 55 1 45 49
| |
| M V30 56 1 46 47
| |
| M V30 57 2 49 50
| |
| M V30 58 1 50 48
| |
| M V30 59 1 30 51
| |
| M V30 60 1 48 52
| |
| M V30 61 1 43 53
| |
| M V30 62 1 43 54
| |
| M V30 63 1 43 55
| |
| M V30 64 1 44 56
| |
| M V30 65 1 44 57
| |
| M V30 66 1 44 58
| |
| M V30 67 1 52 59
| |
| M V30 68 1 52 60
| |
| M V30 69 1 52 61
| |
| M V30 70 1 51 62
| |
| M V30 71 1 51 63
| |
| M V30 72 1 51 64
| |
| M V30 73 10 12 65
| |
| M V30 74 10 65 20
| |
| M V30 75 8 3 65
| |
| M V30 76 8 65 6
| |
| M V30 77 8 65 66
| |
| M V30 END BOND
| |
| M V30 END CTAB
| |
| M END
| |
| </chemform><chemform smiles="C1C=C2C(C3C=CC([N+](C)(C)C)=CC=3)=C3C=CC4C(C5C=CC([N+](C)(C)C)=CC=5)=C5N6~[Fe+3](~[Cl-])7(~N2C=1C(C1C=CC([N+](C)(C)C)=CC=1)=C1N7=C(C(C2C=CC([N+](C)(C)C)=CC=2)=C6C=C5)C=C1)N3=4.[Cl-].[Cl-].[Cl-].[Cl-]" inchi="1S/C56H60N8.5ClH.Fe/c1-61(2,3)41-21-13-37(14-22-41)53-45-29-31-47(57-45)54(38-15-23-42(24-16-38)62(4,5)6)49-33-35-51(59-49)56(40-19-27-44(28-20-40)64(10,11)12)52-36-34-50(60-52)55(48-32-30-46(53)58-48)39-17-25-43(26-18-39)63(7,8)9;;;;;;/h13-36H,1-12H3;5*1H;/q+2;;;;;;+5/p-5/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-;;;;;;" inchikey="LKNRTBVZMCBYCY-NGWNFTKISA-I" height="200px" width="300px" float="none">
| |
| -INDIGO-11282314292D | | -INDIGO-11282314292D |
|
| |
|