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EVODEX.1-P6440

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:22])([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]O[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:49])([H:50])[H:51])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])[H:40])[H:39])([H:37])[H:38])([C:10]([H])([C:11]([C:12](=[C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:22])([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]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E353 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](=[#6:8](-[#6:9])-[H:35])-[H:36]>>[#6:6]-[#6:7](-[#6@:8](-[#6:9])(-[#8]-[H])-[H:35])(-[H:36])-[H]

EVODEX.1-C78 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]=[#6:4]>>[H]-[#8]-[#6:2]-[#6:4]-[H]

EVODEX.1-N61 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5](=[#6:6](-[#6:7])-[H:33])-[H:34]>>[H]-[#8]-[#6@:6](-[#6:5](-[H])(-[#6:4])-[H:34])(-[#6:7])-[H:33]

EVODEX.1-Em758 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:4]-[#6:5]=[#6:6]-[#6:7]>>[H]-[#8]-[#6:6](-[#6:5](-[H])-[#6:4])-[#6:7]

EVODEX.1-Cm111 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:9]=[#6:10]>>[#8]-[#6:10]-[#6:9]-[H]

EVODEX.1-Nm168 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]=[#6:6]-[#6:7]>>[H]-[#8]-[#6:6](-[#6:5](-[H])-[#6:4])-[#6:7]

Source Full Reactions

EVODEX.1-R7025

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:22])([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][O:21][H:52]>>[H][C:10]([C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:49])([H:50])[H:51])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])[H:40])[H:39])([H:37])[H:38])([O:21][H:52])[H:36])([C:11]([C:12](=[C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][H:22])([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]