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EVODEX.1-P2560

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:23][C:22]1:[C:21]([H:32]):[C:20]([H:31]):[C:19]([C:18]([C@:16]([C:15]([H:39])([H:40])[H:41])([N:17]([H:29])[H:30])[C:26](=[O:27])[O:28][H:38])([H:36])[H:37]):[C:25]([H:35]):[C:24]:1[H:34]>>[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[O:23][C:22]1:[C:21]([H:32]):[C:20]([H:31]):[C:19]([C:18]([C@:16]([C:15]([H:39])([H:40])[H:41])([N:17]([H:29])[H:30])[C:26](=[O:27])[O:28][H:38])([H:36])[H:37]):[C:25]([H:35]):[C:24]:1[H:34]

Derived Operators

EVODEX.1-F84 - Elemental Balance

C5
H8

EVODEX.1-M106 - Mass Difference

68.06264

EVODEX.1-E652 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:14]-[#8:16]-[H]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])=[#6](-[#6](-[#8:16]-[#6:14])(-[H])-[H])-[H])(-[H])(-[H])-[H]

EVODEX.1-C397 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:23]>>[H]-[#6](=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#8:23]

EVODEX.1-N476 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:23]-[#6:22]>>[H]-[#6](=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#8:23]-[#6:22]

EVODEX.1-Em103 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:17]-[#6:16]>>[#6]-[#6](-[H])(-[H])-[#8:17]-[#6:16]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm136 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:17]-[#6:16]>>[#6]-[#6](-[H])(-[H])-[#8:17]-[#6:16]

Source Full Reactions

EVODEX.1-R3300

Full Reaction Rendering

[H][O:23][C:22]1:[C:21]([H:32]):[C:20]([H:31]):[C:19]([C:18]([C@:16]([C:15]([H:39])([H:40])[H:41])([N:17]([H:29])[H:30])[C:26](=[O:27])[O:28][H:38])([H:36])[H:37]):[C:25]([H:35]):[C:24]:1[H:34].[C:1]([C:2]([C:3]([H:42])([H:43])[H:44])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:45])[O:10][P:11](=[O:12])([O:13][H:46])[O:14][H:47])([H:48])[H:49])[H:50])([H:51])([H:52])[H:53]>>[C:1]([C:2]([C:3]([H:42])([H:43])[H:44])=[C:4]([C:5]([O:23][C:22]1:[C:21]([H:32]):[C:20]([H:31]):[C:19]([C:18]([C@:16]([C:15]([H:39])([H:40])[H:41])([N:17]([H:29])[H:30])[C:26](=[O:27])[O:28][H:38])([H:36])[H:37]):[C:25]([H:35]):[C:24]:1[H:34])([H:48])[H:49])[H:50])([H:51])([H:52])[H:53].[H][O:6][P:7](=[O:8])([O:9][H:45])[O:10][P:11](=[O:12])([O:13][H:46])[O:14][H:47]