EVODEX Logo

EVODEX.1-P3978

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])[C:12]([C:13](=[O:14])[N:15]([C@@:16]1([H:23])[C:17]([H:24])([H:25])[C:18]([H:26])([H:27])[O:19][C:20]1=[O:21])[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:43])[H:44])([H:45])[H:46])([H:47])([H:48])[H:49]>>[H]O[C:18]([C:17]([C@:16]([N:15]([C:13]([C:12]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:47])([H:48])[H:49])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])=[O:11])([H:29])[H:30])=[O:14])[H:28])([C:20]([O:19][H])=[O:21])[H:23])([H:24])[H:25])([H:26])[H:27]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E350 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19]-[#6:20](-[H:28])(-[H:29])-[#8:21]-[#6:22]>>([#6:19]-[#6:20](-[#8]-[H])(-[H:28])-[H:29].[#6:22]-[#8:21]-[H])

EVODEX.1-C509 - Reaction Operator C

Reaction Operator C SMIRKS

([#6:20]-[#8:21].[#6@@:18])>>([H]-[#8]-[#6:20].[#8:21]-[H].[#6@:18])

EVODEX.1-N636 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:17]-[#6@@:18]1(-[H:25])-[#6:19]-[#6:20](-[H:28])(-[H:29])-[#8:21]-[#6:22]-1>>[H]-[#8]-[#6:20](-[#6:19]-[#6@:18](-[#7:17])(-[#6:22]-[#8:21]-[H])-[H:25])(-[H:28])-[H:29]

EVODEX.1-Em603 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm69 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm539 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R4826

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])[C:12]([C:13](=[O:14])[N:15]([C@@:16]1([H:23])[C:17]([H:24])([H:25])[C:18]([H:26])([H:27])[O:19][C:20]1=[O:21])[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:43])[H:44])([H:45])[H:46])([H:47])([H:48])[H:49].[H][O:22][H:50]>>[H][O:19][C:20]([C@@:16]([N:15]([C:13]([C:12]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:47])([H:48])[H:49])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])=[O:11])([H:29])[H:30])=[O:14])[H:28])([C:17]([C:18]([O:22][H:50])([H:26])[H:27])([H:24])[H:25])[H:23])=[O:21]