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EVODEX.1-P372

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:1]([C:2]1=[C:3]([C:4](=[O:5])[O:6][H:27])[N:7]2[C:8](=[O:9])[C@:10]([N:11]([H:28])[H:29])([H:30])[C@@:12]2([H:31])[S:13][C:14]1([H:32])[H:33])([H:34])[H:35].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[C:22](=[O:23])[O:24][H].O=[O:25]>>[C:22](=[O:23])=[O:24].[H][O:25][C:1]([C:2]1=[C:3]([C:4](=[O:5])[O:6][H:27])[N:7]2[C:8](=[O:9])[C@:10]([N:11]([H:28])[H:29])([H:30])[C@@:12]2([H:31])[S:13][C:14]1([H:32])[H:33])([H:34])[H:35]

Derived Operators

EVODEX.1-F133 - Elemental Balance

O-4
C-4
H-6

EVODEX.1-M44 - Mass Difference

-118.02658

EVODEX.1-E775 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4](-[#6@:3])(-[H:22])(-[H:23])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8])-[#6:17](=[#8:18])-[#8:19]-[H])(-[H])-[H])(-[H])-[H].[#8:20]=[#8]>>[#6:17](=[#8:18])=[#8:19].[#6:4](-[#6@:3])(-[#8:20]-[H])(-[H:22])-[H:23]

EVODEX.1-C53 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:4].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:17]-[#8:19]-[H].[#8]=[#8:20]>>[#6:17]=[#8:19].[H]-[#8:20]-[#6:4]

EVODEX.1-N167 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:4](-[#6@@:3])(-[H:22])-[H:23].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:17](=[#8:18])-[#8:19]-[H].[#8]=[#8:20]>>[#6:17](=[#8:18])=[#8:19].[H]-[#8:20]-[#6:4](-[#6@@:3])(-[H:22])-[H:23]

EVODEX.1-Em249 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:4]-[#6:3].[#6]-[#6](=[#8])-[#6:17](=[#8:18])-[#8:19]-[H].[#8]=[#8:20]>>[#6:17](=[#8:18])=[#8:19].[H]-[#8:20]-[#6:4]-[#6:3]

EVODEX.1-Cm54 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5].[H]-[#8:23]-[#6:21]-[#6:19].[#8:24]=[#8:25]>>[#6:21]=[#8:23].[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]

EVODEX.1-Nm247 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:4]-[#6:3].[#6]-[#6](=[#8])-[#6:17](=[#8:18])-[#8:19]-[H].[#8]=[#8:20]>>[#6:17](=[#8:18])=[#8:19].[H]-[#8:20]-[#6:4]-[#6:3]

Source Full Reactions

EVODEX.1-R379

Full Reaction Rendering

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