EVODEX.1-P4981 - Partial Reaction

SMIRKS

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C(=O)[N:13]([C@:5]([C:3]([O:2][C:1]([H:38])([H:39])[H:40])=[O:4])([C:6]([C:7]1:[C:8]([H:23]):[C:9]([H:24]):[C:10]([H:25]):[C:11]([H:26]):[C:12]:1[H:27])([H:28])[H:29])[H:37])[H:36]>>[H][N:13]([C@:5]([C:3]([O:2][C:1]([H:38])([H:39])[H:40])=[O:4])([C:6]([C:7]1:[C:8]([H:23]):[C:9]([H:24]):[C:10]([H:25]):[C:11]([H:26]):[C:12]:1[H:27])([H:28])[H:29])[H:37])[H:36]

Derived Operators

EVODEX.1-F220 - Elemental Balance

O	-3
C	-4
N	-1
H	-5

EVODEX.1-M72 - Mass Difference

-115.02695

EVODEX.1-E930 - Reaction Operator E

[#7](-[#6@@](-[#6](-[#6](=[#8])-[#7:6](-[#6@:7])-[H:33])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#7:6](-[#6@:7])(-[H:33])-[H]

EVODEX.1-C626 - Reaction Operator C

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

EVODEX.1-N781 - Reaction Operator N

[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@:7])-[H:33]>>[H]-[#7:6](-[#6@:7])-[H:33]

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-R5762

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