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EVODEX.1-P3217

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C:18](=[O:19])[C:20]([C@:21]([N:22]([H:36])[H:37])([C:23](=[O:24])[O:25][H:38])[H:39])([H:40])[H:41]>>[H]O[C:18](=[O:19])[C:20]([C@:21]([N:22]([H:36])[H:37])([C:23](=[O:24])[O:25][H:38])[H:39])([H:40])[H:41]

Derived Operators

EVODEX.1-F74 - Elemental Balance

O1
N-1
H-1

EVODEX.1-M17 - Mass Difference

0.9839699999999996

EVODEX.1-E636 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C468 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6:5]>>[H]-[#8]-[#6:5]

EVODEX.1-N568 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6:5](-[#6:4])=[#8:7]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7]

EVODEX.1-Em555 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7](-[H])-[#6:5](-[#6:4])=[#8:7]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7]

EVODEX.1-Cm4 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:42]>>[#8]-[#6:42]

EVODEX.1-Nm501 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7](-[H])-[#6:5](-[#6:4])=[#8:7]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7]

Source Full Reactions

EVODEX.1-R5466

Full Reaction Rendering

[N:1]([C:2](=[O:3])[C:4]([C@:5]([N:6]([H:11])[H:12])([C:7](=[O:8])[O:9][H:13])[H:14])([H:15])[H:16])([H:17])[H:18].[H][O:10][H:19]>>[C:2](=[O:3])([C:4]([C@:5]([N:6]([H:11])[H:12])([C:7](=[O:8])[O:9][H:13])[H:14])([H:15])[H:16])[O:10][H:19].[H][N:1]([H:17])[H:18]

EVODEX.1-R3851

Full Reaction Rendering

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