EVODEX.1-P5614 - Partial Reaction

SMIRKS

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C(=O)[N:6]([C@:7]1([H:22])[O:8][C@@:9]([C:10]([O:11][H:23])([H:24])[H:25])([H:26])[C@:12]([O:13][H:27])([H:28])[C@@:14]([O:15][H:29])([H:30])[C@@:16]1([O:17][H:31])[H:32])[H:33]>>[H][N:6]([C@:7]1([H:22])[O:8][C@@:9]([C:10]([O:11][H:23])([H:24])[H:25])([H:26])[C@:12]([O:13][H:27])([H:28])[C@@:14]([O:15][H:29])([H:30])[C@@:16]1([O:17][H:31])[H:32])[H:33]

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-R6345

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