EVODEX.1-P4965

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([S:8][C:9]([C@:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([C@:16]([N:17]([H:29])[H:30])([C:18](=[O:19])[O:20][H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:37])([C:21](=[O:22])[N:23]([C:24]([C:25](=[O:26])[O:27][H:38])([H:39])[H:40])[H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[H][O:28][H:60]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([O:28][H:60])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[H][S:8][C:9]([C@:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([C@:16]([N:17]([H:29])[H:30])([C:18](=[O:19])[O:20][H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:37])([C:21](=[O:22])[N:23]([C:24]([C:25](=[O:26])[O:27][H:38])([H:39])[H:40])[H:41])[H:42])([H:43])[H:44]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E121 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#16:4]-[#6:5](-[#6@:6])(-[H:16])-[H:17].[#8:11](-[H:24])-[H]>>[#6:5](-[#6@:6])(-[#8:11]-[H:24])(-[H:16])-[H:17].[#6:3]-[#16:4]-[H]

EVODEX.1-C2 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-N648 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#6:7](-[#16:8]-[#6:9])(-[H:45])-[H:46].[H]-[#8:28]-[H:60]>>[#6:6]-[#6:7](-[#8:28]-[H:60])(-[H:45])-[H:46].[H]-[#16:8]-[#6:9]

EVODEX.1-Em612 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]-[#6:7]-[#16:8]-[#6:9].[H]-[#8:28]>>[#6:6]-[#6:7]-[#8:28].[H]-[#16:8]-[#6:9]

EVODEX.1-Cm23 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-Nm547 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:6]-[#6:7]-[#16:8]-[#6:9].[H]-[#8:28]>>[#6:6]-[#6:7]-[#8:28].[H]-[#16:8]-[#6:9]

Source Full Reactions

EVODEX.1-R5747

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([S:8][C:9]([C@:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([C@:16]([N:17]([H:29])[H:30])([C:18](=[O:19])[O:20][H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:37])([C:21](=[O:22])[N:23]([C:24]([C:25](=[O:26])[O:27][H:38])([H:39])[H:40])[H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[H][O:28][H:60]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([O:28][H:60])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[H][S:8][C:9]([C@:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([C@:16]([N:17]([H:29])[H:30])([C:18](=[O:19])[O:20][H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:37])([C:21](=[O:22])[N:23]([C:24]([C:25](=[O:26])[O:27][H:38])([H:39])[H:40])[H:41])[H:42])([H:43])[H:44]