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EVODEX.1-P4004

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]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([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:43])[H:44])[H:45])([H:46])[H:47])[H:48])[H:49])([H:50])[H:51])([H:52])([H:53])[H:54]>>[H]O[C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:52])([H:53])[H:54])([H:50])[H:51])[H:49])[H:48])([H:46])[H:47])[H:45])[H:44])([H:42])[H:43])[H:41])[H:40])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])=[O:19].[H][O:20][C:21]([H:23])([H:24])[H:25]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E357 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5]>>[#6:1]-[#6:2](=[#8:3])-[#8]-[H].[#8:4](-[#6:5])-[H]

EVODEX.1-C7 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:3]-[#8:4]>>[H]-[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-N54 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em593 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm148 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R4850

Full Reaction Rendering

[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([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:43])[H:44])[H:45])([H:46])[H:47])[H:48])[H:49])([H:50])[H:51])([H:52])([H:53])[H:54].[H][O:22][H:55]>>[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:22][H:55])([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:43])[H:44])[H:45])([H:46])[H:47])[H:48])[H:49])([H:50])[H:51])([H:52])([H:53])[H:54].[H][O:20][C:21]([H:23])([H:24])[H:25]