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EVODEX.1-P4367

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[S:3](=[O:4])([O:5][H:30])[O:6][N:7]=[C:8]([C:9]([C:10]([C:11]1:[C:12]([H:31]):[C:13]([H:32]):[C:14]([O:15][H:33]):[C:16]([H:34]):[C:17]:1[H:35])([H:36])[H:37])([H:38])[H:39])[S:18][C@:19]1([H:40])[O:20][C@@:21]([C:22]([O:23][H:41])([H:42])[H:43])([H:44])[C@:24]([O:25][H:45])([H:46])[C@@:26]([O:27][H:47])([H:48])[C@:28]1([O:29][H:49])[H:50]>>[H][S:18][C:8](=[N:7][O:6][S:3](=[O:2])(=[O:4])[O:5][H:30])[C:9]([C:10]([C:11]1:[C:12]([H:31]):[C:13]([H:32]):[C:14]([O:15][H:33]):[C:16]([H:34]):[C:17]:1[H:35])([H:36])[H:37])([H:38])[H:39].[H]O[C@:19]1([H:40])[O:20][C@@:21]([C:22]([O:23][H:41])([H:42])[H:43])([H:44])[C@:24]([O:25][H:45])([H:46])[C@@:26]([O:27][H:47])([H:48])[C@:28]1([O:29][H:49])[H:50]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E370 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:8]-[#16:17]-[#6@:18](-[H:37])(-[#8:19])-[#6@:27]>>[#6:8]-[#16:17]-[H].[#8](-[#6@:18](-[H:37])(-[#8:19])-[#6@:27])-[H]

EVODEX.1-C85 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:4]-[#16:6]>>[H]-[#8]-[#6:4].[H]-[#16:6]

EVODEX.1-N678 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#16:18]-[#6@:19](-[H:40])(-[#8:20])-[#6@:28]>>[H]-[#16:18]-[#6:8].[H]-[#8]-[#6@:19](-[H:40])(-[#8:20])-[#6@:28]

EVODEX.1-Em636 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#16:18]-[#6:19](-[#8:20])-[#6:28]>>[H]-[#16:18]-[#6:8].[H]-[#8]-[#6:19](-[#8:20])-[#6:28]

EVODEX.1-Cm12 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:4]-[#16:6]>>[#8]-[#6:4].[H]-[#16:6]

EVODEX.1-Nm571 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#16:18]-[#6:19](-[#8:20])-[#6:28]>>[H]-[#16:18]-[#6:8].[H]-[#8]-[#6:19](-[#8:20])-[#6:28]

Source Full Reactions

EVODEX.1-R5206

Full Reaction Rendering

[O:2]=[S:3](=[O:4])([O:5][H:30])[O:6][N:7]=[C:8]([C:9]([C:10]([C:11]1:[C:12]([H:31]):[C:13]([H:32]):[C:14]([O:15][H:33]):[C:16]([H:34]):[C:17]:1[H:35])([H:36])[H:37])([H:38])[H:39])[S:18][C@:19]1([H:40])[O:20][C@@:21]([C:22]([O:23][H:41])([H:42])[H:43])([H:44])[C@:24]([O:25][H:45])([H:46])[C@@:26]([O:27][H:47])([H:48])[C@:28]1([O:29][H:49])[H:50].[H][O:1][H:51]>>[H][S:18][C:8](=[N:7][O:6][S:3](=[O:2])(=[O:4])[O:5][H:30])[C:9]([C:10]([C:11]1:[C:12]([H:31]):[C:13]([H:32]):[C:14]([O:15][H:33]):[C:16]([H:34]):[C:17]:1[H:35])([H:36])[H:37])([H:38])[H:39].[O:1]([C@:19]1([H:40])[O:20][C@@:21]([C:22]([O:23][H:41])([H:42])[H:43])([H:44])[C@:24]([O:25][H:45])([H:46])[C@@:26]([O:27][H:47])([H:48])[C@:28]1([O:29][H:49])[H:50])[H:51]