EVODEX.1-P4970 - Partial Reaction

SMIRKS

[H]N1C(=O)C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:26]):[C:14]([H:27]):[C:15]([H:28]):[C:16]([H:29]):[C:17]:1[H:30])([H:31])[H:32])([C:18](=[O:19])[O:20][H:33])[H:34])[H:35]>>[H][N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:26]):[C:14]([H:27]):[C:15]([H:28]):[C:16]([H:29]):[C:17]:1[H:30])([H:31])[H:32])([C:18](=[O:19])[O:20][H:33])[H:34])[H:35]

Derived Operators

EVODEX.1-F233 - Elemental Balance

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

EVODEX.1-M293 - Mass Difference

-111.03205

EVODEX.1-E953 - Reaction Operator E

[#7:17](-[#6@:9])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7]-1-[H])-[H:40]>>[#7:17](-[#6@:9])(-[H:40])-[H]

EVODEX.1-C625 - Reaction Operator C

[H]-[#7]1-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:9]>>[H]-[#7:9]

EVODEX.1-N780 - Reaction Operator N

[H]-[#7]1-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:9](-[#6@@:10])-[H:50]>>[H]-[#7:9](-[#6@@:10])-[H:50]

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-R5752

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