EVODEX Logo

EVODEX.1-P4361

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[S:3](=[O:4])([O:5][H:31])[O:6][N:7]=[C:8]([C:9]([C:10]([C:11]([O:12][C:13]1:[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]:1[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])[S:19][C@:20]1([H:43])[O:21][C@@:22]([C:23]([O:24][H:44])([H:45])[H:46])([H:47])[C@:25]([O:26][H:48])([H:49])[C@@:27]([O:28][H:50])([H:51])[C@:29]1([O:30][H:52])[H:53]>>[H][S:19][C:8](=[N:7][O:6][S:3](=[O:2])(=[O:4])[O:5][H:31])[C:9]([C:10]([C:11]([O:12][C:13]1:[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]:1[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42].[H]O[C@:20]1([H:43])[O:21][C@@:22]([C:23]([O:24][H:44])([H:45])[H:46])([H:47])[C@:25]([O:26][H:48])([H:49])[C@@:27]([O:28][H:50])([H:51])[C@:29]1([O:30][H:52])[H:53]

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-R5201

Full Reaction Rendering

[O:2]=[S:3](=[O:4])([O:5][H:31])[O:6][N:7]=[C:8]([C:9]([C:10]([C:11]([O:12][C:13]1:[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]:1[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])[S:19][C@:20]1([H:43])[O:21][C@@:22]([C:23]([O:24][H:44])([H:45])[H:46])([H:47])[C@:25]([O:26][H:48])([H:49])[C@@:27]([O:28][H:50])([H:51])[C@:29]1([O:30][H:52])[H:53].[H][O:1][H:54]>>[H][S:19][C:8](=[N:7][O:6][S:3](=[O:2])(=[O:4])[O:5][H:31])[C:9]([C:10]([C:11]([O:12][C:13]1:[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]:1[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42].[O:1]([C@:20]1([H:43])[O:21][C@@:22]([C:23]([O:24][H:44])([H:45])[H:46])([H:47])[C@:25]([O:26][H:48])([H:49])[C@@:27]([O:28][H:50])([H:51])[C@:29]1([O:30][H:52])[H:53])[H:54]