EVODEX.1-P4719 - Partial Reaction

SMIRKS

[H]N([H])C([H])([H])C([H])([H])C(=O)[N:6]([C@:5]([C:3]([O:2][C:1]([H:38])([H:39])[H:40])=[O:4])([C:12]([C:13]([H:30])([H:31])[H:32])([C:14]([H:33])([H:34])[H:35])[H:36])[H:37])[H:29]>>[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:38])([H:39])[H:40])=[O:4])([C:12]([C:13]([H:30])([H:31])[H:32])([C:14]([H:33])([H:34])[H:35])[H:36])[H:37])[H:29]

Derived Operators

EVODEX.1-F138 - Elemental Balance

O	-1
C	-3
N	-1
H	-5

EVODEX.1-M45 - Mass Difference

-71.03715000000001

EVODEX.1-E791 - Reaction Operator E

[#7:6](-[#6@:5])(-[#6](=[#8])-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])-[H:25]>>[#7:6](-[#6@:5])(-[H:25])-[H]

EVODEX.1-C571 - Reaction Operator C

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

EVODEX.1-N725 - Reaction Operator N

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@@:7])-[H:28]>>[H]-[#7:6](-[#6@@:7])-[H:28]

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-R5537

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