EVODEX.1-P4667 - Partial Reaction

SMIRKS

[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:13]([C:14]2:[C:15]([H:31]):[C:16]([H:32]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:33]):[C:22]:2[H:34])[H:35])N([H])[H]):C([H]):C:1[H]>>[H][N:13]([C:14]1:[C:15]([H:31]):[C:16]([H:32]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:33]):[C:22]:1[H:34])[H:35]

Derived Operators

EVODEX.1-F200 - Elemental Balance

O	-2
C	-9
N	-1
H	-9

EVODEX.1-M127 - Mass Difference

-163.06337

EVODEX.1-E901 - Reaction Operator E

[#7:3](-[#6@:2])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H:30]>>[#7:3](-[#6@:2])(-[H:30])-[H]

EVODEX.1-C554 - Reaction Operator C

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13]

EVODEX.1-N707 - Reaction Operator N

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13](-[#6@@:14])-[H:38])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13](-[#6@@:14])-[H:38]

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-R5487

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