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EVODEX.1-P4046

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F31 - Elemental Balance

O-1
C-2
H-2

EVODEX.1-M82 - Mass Difference

-42.01056

EVODEX.1-E474 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C505 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8:4]>>[H]-[#8:4]

EVODEX.1-N624 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em10 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm9 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R4889

Full Reaction Rendering

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