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EVODEX.1-P2554

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R3295

Full Reaction Rendering

[H][O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([H:37]):[C:24]([C:25](=[C:26]([C:27](=[O:28])[O:29][H:38])[H:39])[H:40]):[C:30]:1[H:41].[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:52])[O:10][P:11](=[O:12])([O:13][H:53])[O:14][H:54])([H:55])[H:56])[H:57])([H:58])([H:59])[H:60]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([H:37]):[C:24]([C:25](=[C:26]([C:27](=[O:28])[O:29][H:38])[H:39])[H:40]):[C:30]:1[H:41])([H:55])[H:56])[H:57])([H:58])([H:59])[H:60].[H][O:6][P:7](=[O:8])([O:9][H:52])[O:10][P:11](=[O:12])([O:13][H:53])[O:14][H:54]