EVODEX.1-P3945

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E135 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5].[#8:26](-[H:47])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:26]-[H:47].[#8:4](-[#6:5])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N55 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#8:5]-[#6:6].[H]-[#8:8]-[H:17]>>[#6:2]-[#6:3](=[#8:4])-[#8:8]-[H:17].[H]-[#8:5]-[#6:6]

EVODEX.1-Em597 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:12]-[#6:13](=[#8:14])-[#8:15]-[#6:16].[H]-[#8:1]>>[H]-[#8:15]-[#6:16].[#8:1]-[#6:13](-[#6:12])=[#8:14]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm149 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#8:5]-[#6:6].[H]-[#8:8]>>[#6:2]-[#6:3](=[#8:4])-[#8:8].[H]-[#8:5]-[#6:6]

Source Full Reactions

EVODEX.1-R4796

Full Reaction Rendering

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