EVODEX.1-P3888

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[O:12][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42].[H][O:20][C:19]1:[C:18]([H:44]):[C:17]([H:43]):[C:16]([N+:14](=[O:13])[O-:15]):[C:22]([H:47]):[C:21]:1[H:46]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[O:20][C:19]1:[C:18]([H:44]):[C:17]([H:43]):[C:16]([N+:14](=[O:13])[O-:15]):[C:22]([H:47]):[C:21]:1[H:46])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42].[H][O:12][H:23]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E157 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[H:15].[#6:13]-[#8:14]-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:14]-[#6:13].[#8:4](-[H:15])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N601 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#8:20]-[H:25].[H]-[#8:21]-[#6:22]>>[#6:17]-[#6:18](=[#8:19])-[#8:21]-[#6:22].[H]-[#8:20]-[H:25]

EVODEX.1-Em582 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#8:20].[H]-[#8:21]-[#6:22]>>[#6:17]-[#6:18](=[#8:19])-[#8:21]-[#6:22].[H]-[#8:20]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm522 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#8:20].[H]-[#8:21]-[#6:22]>>[#6:17]-[#6:18](=[#8:19])-[#8:21]-[#6:22].[H]-[#8:20]

Source Full Reactions

EVODEX.1-R4746

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[O:12][H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42].[H][O:20][C:19]1:[C:18]([H:44]):[C:17]([H:43]):[C:16]([N+:14](=[O:13])[O-:15]):[C:22]([H:47]):[C:21]:1[H:46]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[O:20][C:19]1:[C:18]([H:44]):[C:17]([H:43]):[C:16]([N+:14](=[O:13])[O-:15]):[C:22]([H:47]):[C:21]:1[H:46])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42].[H][O:12][H:23]