EVODEX.1-P3996

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[C@@:12]([O:13][H:24])([C:14]([C:15](=[O:16])[O:17][H:25])([H:26])[H:27])[C:18]([N+:19]([C:20]([H:28])([H:29])[H:30])([C:21]([H:31])([H:32])[H:33])[C:22]([H:34])([H:35])[H:36])([H:37])[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][O:23][H:58]>>[H][C@@:12]([O:13][H:24])([C:14]([C:15](=[O:16])[O:17][H:25])([H:26])[H:27])[C:18]([N+:19]([C:20]([H:28])([H:29])[H:30])([C:21]([H:31])([H:32])[H:33])[C:22]([H:34])([H:35])[H:36])([H:37])[H:38].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[O:23][H:58])([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]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E263 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])(-[#6:20])-[#6:22].[#8:24](-[H:63])-[H]>>[#6:15]-[#6:16](=[#8:17])-[#8:24]-[H:63].[#6:18](-[#8:19])(-[#6:20])(-[#6:22])-[H]

EVODEX.1-C39 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:9]-[#6:10].[H]-[#8:1]>>[H]-[#6:9].[#8:1]-[#6:10]

EVODEX.1-N635 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])(-[#6:20])-[#6:22].[H]-[#8:24]-[H:63]>>[#6:15]-[#6:16](=[#8:17])-[#8:24]-[H:63].[H]-[#6:18](-[#8:19])(-[#6:20])-[#6:22]

EVODEX.1-Em602 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])(-[#6:20])-[#6:22].[H]-[#8:24]>>[#6:15]-[#6:16](=[#8:17])-[#8:24].[H]-[#6:18](-[#8:19])(-[#6:20])-[#6:22]

EVODEX.1-Cm82 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:9]-[#6:10].[H]-[#8:1]>>[H]-[#6:9].[#8:1]-[#6:10]

EVODEX.1-Nm538 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])(-[#6:20])-[#6:22].[H]-[#8:24]>>[#6:15]-[#6:16](=[#8:17])-[#8:24].[H]-[#6:18](-[#8:19])(-[#6:20])-[#6:22]

Source Full Reactions

EVODEX.1-R4843

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[C@@:12]([O:13][H:24])([C:14]([C:15](=[O:16])[O:17][H:25])([H:26])[H:27])[C:18]([N+:19]([C:20]([H:28])([H:29])[H:30])([C:21]([H:31])([H:32])[H:33])[C:22]([H:34])([H:35])[H:36])([H:37])[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][O:23][H:58]>>[H][C@@:12]([O:13][H:24])([C:14]([C:15](=[O:16])[O:17][H:25])([H:26])[H:27])[C:18]([N+:19]([C:20]([H:28])([H:29])[H:30])([C:21]([H:31])([H:32])[H:33])[C:22]([H:34])([H:35])[H:36])([H:37])[H:38].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[O:23][H:58])([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]