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EVODEX.1-P6255

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:24])([H:25])[H:26])([C@:4]([C:5](=[O:6])[H:27])([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]([H:31]):[C:17]:1[H:32])([H:33])[H:34])[H:35])[H:36])[H:37])([H:38])([H:39])[H:40]>>[H]OC([H])([H])C(=O)C([H])(O[H])[C:5]([C@@:4]([C:2]([C:1]([H:38])([H:39])[H:40])([C:3]([H:24])([H:25])[H:26])[H:37])([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]([H:31]):[C:17]:1[H:32])([H:33])[H:34])[H:35])[H:36])([O:6][H])[H:27]

Derived Operators

EVODEX.1-F54 - Elemental Balance

O3
C3
H6

EVODEX.1-M213 - Mass Difference

90.03168000000001

EVODEX.1-E576 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:7]=[#6:8](-[#6:9])-[H:23]>>[#8]=[#6](-[#6@](-[#8]-[H])(-[#6:8](-[#8:7]-[H])(-[#6:9])-[H:23])-[H])-[#6](-[#8]-[H])(-[H])-[H]

EVODEX.1-C1142 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N1416 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#6@:4](-[#6:5](=[#8:6])-[H:27])(-[#7:7])-[H:36]>>[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6](-[H])(-[#8]-[H])-[#6:5](-[#6@@:4](-[#6:2])(-[#7:7])-[H:36])(-[#8:6]-[H])-[H:27]

EVODEX.1-Em72 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:7]=[#6:8]-[#6:9]>>[#6]-[#6](-[H])(-[#8])-[#6:8](-[#8:7]-[H])-[#6:9]

EVODEX.1-Cm31 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm86 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:7]=[#6:8]-[#6:9]>>[#6]-[#6](-[H])(-[#8])-[#6:8](-[#8:7]-[H])-[#6:9]

Source Full Reactions

EVODEX.1-R6859

Full Reaction Rendering

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