EVODEX.1-P4696 - 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]C1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:13]([C:14]2:[C:15]([H:23]):[C:16]([H:24]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:25]):[C:22]:2[H:26])[H:27])N([H])[H]):C([H]):C:1[H]

Derived Operators

EVODEX.1-F191 - Elemental Balance

C	9
O	1
N	1
H	9

EVODEX.1-M125 - Mass Difference

147.06847

EVODEX.1-E888 - Reaction Operator E

[#7:1](-[#6@@:2])(-[H:56])-[H]>>[#7:1](-[#6@@:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])=[#8])-[H:56]

EVODEX.1-C580 - Reaction Operator C

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

EVODEX.1-N736 - Reaction Operator N

[H]-[#7:1](-[#6@@:2])-[H:80]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1](-[#6@@:2])-[H:80])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[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-R5515

[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]([C:3]([C:4]1:[C:5]([H:29]):[C:6]([H:30]):[C:7]([H:31]):[C:8]([H:32]):[C:9]:1[H:33])([H:34])[H:35])([C:10](=[O:11])[O:12][H:36])[H:37])([H:38])[H:39]>>[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:29]):[C:6]([H:30]):[C:7]([H:31]):[C:8]([H:32]):[C:9]:1[H:33])([H:34])[H:35])([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:37])([H:38])[H:39].[H][O:12][H:36]