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EVODEX.1-P375

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]O[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-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E404 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#6:2])(-[H:92])(-[H:93])-[H]>>[#6:1](-[#6:2])(-[#8]-[H])(-[H:92])-[H:93]

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N170 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:10](-[#6:9])(-[H:62])-[H:63]>>[H]-[#8]-[#6:10](-[#6:9])(-[H:62])-[H:63]

EVODEX.1-Em252 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm250 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

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]