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EVODEX.1-P374

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].[O:25]=[O:26]>>[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]OC(=O)C([H])([H])C([H])([H])C(=O)[O:26][H]

Derived Operators

EVODEX.1-F134 - Elemental Balance

O3
C4
H6

EVODEX.1-M25 - Mass Difference

102.03168

EVODEX.1-E779 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4](-[#6@:3])(-[H:22])(-[H:23])-[H].[#8:20]=[#8:21]>>[#6:4](-[#6@:3])(-[#8:20]-[H])(-[H:22])-[H:23].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8])-[#8:21]-[H])(-[H])-[H])(-[H])-[H]

EVODEX.1-C50 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:10].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6@@:10].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:27]-[H]

EVODEX.1-N169 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:4](-[#6@@:3])(-[H:22])-[H:23].[#8:20]=[#8:21]>>[H]-[#8:20]-[#6:4](-[#6@@:3])(-[H:22])-[H:23].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:21]-[H]

EVODEX.1-Em251 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:4]-[#6:3].[#8:20]=[#8:21]>>[H]-[#8:20]-[#6:4]-[#6:3].[#6]-[#6](=[#8])-[#8:21]-[H]

EVODEX.1-Cm40 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:2].[#8]=[#8:83]>>[H]-[#8:83]-[#6:2]

EVODEX.1-Nm249 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:4]-[#6:3].[#8:20]=[#8:21]>>[H]-[#8:20]-[#6:4]-[#6:3].[#6]-[#6](=[#8])-[#8:21]-[H]

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]