EVODEX.1-P4951 - Partial Reaction

SMIRKS

[H]N(C(=O)C([H])([H])[H])[C@]([H])(C(=O)[N:9]([C:10]1:[C:11]([H:26]):[C:12]([H:27]):[C:13]2:[C:14]([C:15]([H:28])([H:29])[H:30]):[C:16]([H:31]):[C:17](=[O:18]):[O:19]:[C:20]:2:[C:21]:1[H:32])[H:33])C([H])([H])[H]>>[H][N:9]([C:10]1:[C:11]([H:26]):[C:12]([H:27]):[C:13]2:[C:14]([C:15]([H:28])([H:29])[H:30]):[C:16]([H:31]):[C:17](=[O:18]):[O:19]:[C:20]:2:[C:21]:1[H:32])[H:33]

Derived Operators

EVODEX.1-F241 - Elemental Balance

O	-2
C	-5
N	-1
H	-7

EVODEX.1-M298 - Mass Difference

-113.04771

EVODEX.1-E965 - Reaction Operator E

[#6](-[#6](=[#8])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#7:9](-[#6@@:10])-[H:71])-[H])-[H])(-[H])(-[H])-[H]>>[#7:9](-[#6@@:10])(-[H:71])-[H]

EVODEX.1-C608 - Reaction Operator C

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

EVODEX.1-N765 - Reaction Operator N

[H]-[#7](-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:9](-[#6@:10])-[H:28])-[#6](-[H])(-[H])-[H]>>[H]-[#7:9](-[#6@:10])-[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-R5737

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