EVODEX.1-P4804 - Partial Reaction

SMIRKS

[H]OC([H])([H])[C@@]([H])(C(=O)[N:13]([C@:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([C:5]([C:6]1:[C:7]([H:21]):[C:8]([H:22]):[C:9]([O:10][H:23]):[C:11]([H:24]):[C:12]:1[H:25])([H:26])[H:27])[H:35])[H:34])N([H])[H]>>[H][N:13]([C@:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([C:5]([C:6]1:[C:7]([H:21]):[C:8]([H:22]):[C:9]([O:10][H:23]):[C:11]([H:24]):[C:12]:1[H:25])([H:26])[H:27])[H:35])[H:34]

Derived Operators

EVODEX.1-F264 - Elemental Balance

O	-2
C	-3
N	-1
H	-5

EVODEX.1-M77 - Mass Difference

-87.03205000000001

EVODEX.1-E999 - Reaction Operator E

[#7:18](-[#6@:13])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])-[H:47]>>[#7:18](-[#6@:13])(-[H:47])-[H]

EVODEX.1-C557 - Reaction Operator C

[H]-[#8]-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13])-[#7](-[H])-[H]>>[H]-[#7:13]

EVODEX.1-N710 - Reaction Operator N

[H]-[#8]-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13](-[#6@:4])-[H:34])-[#7](-[H])-[H]>>[H]-[#7:13](-[#6@:4])-[H:34]

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-R5605

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