EVODEX.1-P4695 - Partial Reaction

SMIRKS

[H][N:13]([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:25]):[C:22]:1[H:26])[H:27]>>[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:13]([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:25]):[C:22]:1[H:26])[H:27])N([H])[H]

Derived Operators

EVODEX.1-F172 - Elemental Balance

O	1
C	6
N	4
H	12

EVODEX.1-M263 - Mass Difference

156.10126

EVODEX.1-E842 - Reaction Operator E

[#7:13](-[#6@@:14])(-[H:66])-[H]>>[#7](=[#6](-[#7](-[H])-[H])-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:13](-[#6@@:14])-[H:66])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H]

EVODEX.1-C579 - Reaction Operator C

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

EVODEX.1-N735 - Reaction Operator N

[H]-[#7:13](-[#6@@:14])-[H:66]>>[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13](-[#6@@:14])-[H:66])-[#7](-[H])-[H]

EVODEX.1-Em4 - Reaction Operator Em

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

EVODEX.1-Cm5 - Reaction Operator Cm

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm4 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R5514

[H][N:13]([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:25]):[C:22]:1[H:26])[H:27].[N:1](=[C:2]([N:3]([H:29])[H:30])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:31])[H:32])([C:10](=[O:11])[O:12][H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[H:41])[H:42]>>[N:1](=[C:2]([N:3]([H:29])[H:30])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:31])[H:32])([C:10](=[O:11])[N:13]([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:25]):[C:22]:1[H:26])[H:27])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[H:41])[H:42].[H][O:12][H:33]