EVODEX.1-P5458

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:26]):[C:16]([H:27]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:28]):[C:22]:1[H:29])([H:30])[H:31])([C:23](=[O:24])[O:25][H:32])[H:33])[H:34].[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:36]):[C:7]([H:37]):[C:8]([H:38]):[C:9]([H:39]):[C:10]:1[H:40])([H:41])[H:42])([H:43])[H:44]>>[C:2](=[O:3])([C:4]([C:5]1:[C:6]([H:36]):[C:7]([H:37]):[C:8]([H:38]):[C:9]([H:39]):[C:10]:1[H:40])([H:41])[H:42])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:26]):[C:16]([H:27]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:28]):[C:22]:1[H:29])([H:30])[H:31])([C:23](=[O:24])[O:25][H:32])[H:33])[H:34].[H][N:1]([H:43])[H:44]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E182 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:11](-[#6@@:12])(-[H:33])-[H].[#7:1](-[#6:2](=[#8:3])-[#6:4])(-[H:42])-[H:43]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11](-[#6@@:12])-[H:33].[#7:1](-[H:42])(-[H:43])-[H]

EVODEX.1-C13 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-N427 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:11](-[#6@@:12])-[H:32].[#7:1](-[#6:2](=[#8:3])-[#6:4])(-[H:41])-[H:42]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11](-[#6@@:12])-[H:32].[H]-[#7:1](-[H:41])-[H:42]

EVODEX.1-Em470 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:11]-[#6:12].[#7:1]-[#6:2](=[#8:3])-[#6:4]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11]-[#6:12].[H]-[#7:1]

EVODEX.1-Cm47 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-Nm421 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:11]-[#6:12].[#7:1]-[#6:2](=[#8:3])-[#6:4]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11]-[#6:12].[H]-[#7:1]

Source Full Reactions

EVODEX.1-R6203

Full Reaction Rendering

[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:26]):[C:16]([H:27]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:28]):[C:22]:1[H:29])([H:30])[H:31])([C:23](=[O:24])[O:25][H:32])[H:33])[H:34].[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:36]):[C:7]([H:37]):[C:8]([H:38]):[C:9]([H:39]):[C:10]:1[H:40])([H:41])[H:42])([H:43])[H:44]>>[C:2](=[O:3])([C:4]([C:5]1:[C:6]([H:36]):[C:7]([H:37]):[C:8]([H:38]):[C:9]([H:39]):[C:10]:1[H:40])([H:41])[H:42])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:26]):[C:16]([H:27]):[C:17]([N+:18](=[O:19])[O-:20]):[C:21]([H:28]):[C:22]:1[H:29])([H:30])[H:31])([C:23](=[O:24])[O:25][H:32])[H:33])[H:34].[H][N:1]([H:43])[H:44]