EVODEX.1-P4593 - Partial Reaction

SMIRKS

[H]N([H])[C@]([H])(C(=O)[N:9]([C@:10]([C:11](=[O:12])[O:13][H:23])([C:14]([C:15]([H:24])([H:25])[H:26])([C:16]([H:27])([H:28])[H:29])[H:30])[H:31])[H:32])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H][N:9]([C@:10]([C:11](=[O:12])[O:13][H:23])([C:14]([C:15]([H:24])([H:25])[H:26])([C:16]([H:27])([H:28])[H:29])[H:30])[H:31])[H:32]

Derived Operators

EVODEX.1-F252 - Elemental Balance

O	-1
C	-6
N	-1
H	-11

EVODEX.1-M83 - Mass Difference

-113.08413

EVODEX.1-E978 - Reaction Operator E

[#7:42](-[#6@@:41])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])-[H])-[H:109]>>[#7:42](-[#6@@:41])(-[H:109])-[H]

EVODEX.1-C552 - Reaction Operator C

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

EVODEX.1-N704 - Reaction Operator N

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:9](-[#6@@:10])-[H:56])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:9](-[#6@@:10])-[H:56]

EVODEX.1-Em1 - Reaction Operator Em

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

EVODEX.1-Cm1 - Reaction Operator Cm

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R5422

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