EVODEX.1-P3954

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R4805

Full Reaction Rendering

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