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EVODEX.1-P211

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][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]>>O1[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:48])[H:49])([H:46])[H:47])([H:44])[H:45])[H:43])[H:42])([H:40])[H:41])([H:39])[C@:10]1([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][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]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E418 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#6:3](-[#6:4])-[H:123])-[H:124]>>[#6:1]-[#6:2]1(-[H:124])-[#6:3](-[#6:4])(-[H:123])-[#8]-1

EVODEX.1-C92 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:27]=[#6:28]>>[#8]1-[#6@:27]-[#6:28]-1

EVODEX.1-N126 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#6:3](-[#6:4])-[H:123])-[H:124]>>[#8]1-[#6:2](-[#6:1])(-[H:124])-[#6:3]-1(-[#6:4])-[H:123]

EVODEX.1-Em208 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm118 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:27]=[#6:28]>>[#8]1-[#6:27]-[#6:28]-1

EVODEX.1-Nm208 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R257

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][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:21][O:22][H:55]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C@@:9]1([H:39])[C@:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][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])[O:21]1)([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]