EVODEX.1-P4980 - Partial Reaction

SMIRKS

[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)[N:9]([C:8]([C:6]([N:5]([C@@:4]([C:2]([C:1]([H:38])([H:39])[H:40])([C:3]([H:22])([H:23])[H:24])[H:37])([C:18](=[O:19])[O:20][H:35])[H:36])[H:34])=[O:7])([H:32])[H:33])[H:31])N([H])[H]>>[H][N:9]([C:8]([C:6]([N:5]([C@@:4]([C:2]([C:1]([H:38])([H:39])[H:40])([C:3]([H:22])([H:23])[H:24])[H:37])([C:18](=[O:19])[O:20][H:35])[H:36])[H:34])=[O:7])([H:32])[H:33])[H:31]

Derived Operators

EVODEX.1-F220 - Elemental Balance

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

EVODEX.1-M72 - Mass Difference

-115.02695

EVODEX.1-E929 - Reaction Operator E

[#7](-[#6@@](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#7:9](-[#6:10])-[H:62])-[H])(-[H])-[H]>>[#7:9](-[#6:10])(-[H:62])-[H]

EVODEX.1-C558 - Reaction Operator C

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

EVODEX.1-N711 - Reaction Operator N

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:18](-[#6@:13])-[H:49])-[#7](-[H])-[H]>>[H]-[#7:18](-[#6@:13])-[H:49]

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-R5761

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