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EVODEX.1-P6358

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:7]([C:8]([C:9]([H:29])([H:30])[H:31])([C:10]([C:11]([C:12](=[O:13])[H:32])([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:33]):[C:21]([H:34]):[C:22]([H:35]):[C:23]([H:36]):[C:24]:1[H:37])([H:38])[H:39])[H:40])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47]>>[H]OC(=O)C(=O)C([H])([H])[C:12]([C:11]([C:10]([C:8]([C:7]([H:45])([H:46])[H:47])([C:9]([H:29])([H:30])[H:31])[H:44])([H:42])[H:43])([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:33]):[C:21]([H:34]):[C:22]([H:35]):[C:23]([H:36]):[C:24]:1[H:37])([H:38])[H:39])[H:40])[H:41])([O:13][H])[H:32]

Derived Operators

EVODEX.1-F56 - Elemental Balance

O3
C3
H4

EVODEX.1-M31 - Mass Difference

88.01602

EVODEX.1-E587 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:8]-[#6:10](=[#8:11])-[H:19]>>[#6](-[#6](=[#8])-[#6](=[#8])-[#8]-[H])(-[#6:10](-[#6:8])(-[#8:11]-[H])-[H:19])(-[H])-[H]

EVODEX.1-C407 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:10]=[#8:11]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])(-[H])-[#6:10]-[#8:11]-[H]

EVODEX.1-N488 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#6:10](=[#8:11])-[H:19]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])(-[H])-[#6:10](-[#6:8])(-[#8:11]-[H])-[H:19]

EVODEX.1-Em524 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:10]=[#8:11]>>[#6]-[#6](-[H])(-[H])-[#6:10](-[#6:8])-[#8:11]-[H]

EVODEX.1-Cm31 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:10]=[#8:11]>>[#6]-[#6:10]-[#8:11]-[H]

EVODEX.1-Nm475 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:10]=[#8:11]>>[#6]-[#6](-[H])(-[H])-[#6:10](-[#6:8])-[#8:11]-[H]

Source Full Reactions

EVODEX.1-R6957

Full Reaction Rendering

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