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EVODEX.1-P4143

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]([N:14]([C@@:15]1([H:22])[C:16]([H:23])([H:24])[C:17]([H:25])([H:26])[O:18][C:19]1=[O:20])[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:43])([H:44])[H:45])([H:46])[H:47])([H:48])([H:49])[H:50]>>[H]O[C:17]([C:16]([C@:15]([N:14]([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:48])([H:49])[H:50])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])=[O:11])([H:30])[H:31])([H:28])[H:29])[H:27])([C:19]([O:18][H])=[O:20])[H:22])([H:23])[H:24])([H:25])[H:26]

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-R4983

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]([N:14]([C@@:15]1([H:22])[C:16]([H:23])([H:24])[C:17]([H:25])([H:26])[O:18][C:19]1=[O:20])[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:43])([H:44])[H:45])([H:46])[H:47])([H:48])([H:49])[H:50].[H][O:21][H:51]>>[H][O:18][C:19]([C@@:15]([N:14]([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:48])([H:49])[H:50])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])=[O:11])([H:30])[H:31])([H:28])[H:29])[H:27])([C:16]([C:17]([O:21][H:51])([H:25])[H:26])([H:23])[H:24])[H:22])=[O:20]