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EVODEX.1-P3066

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][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]N([H])[C:7]([H])([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:45])([H:46])[H:47])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])[C:9](=[O:10])[O:11][H:34].[H]OC(=O)C(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=[O:8]

Derived Operators

EVODEX.1-F137 - Elemental Balance

O2
C6
N1
H13

EVODEX.1-M67 - Mass Difference

131.09469

EVODEX.1-E789 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6](=[#8])-[#8]-[H])=[#8:14])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#7](-[#6@:13](-[#6:11]=[#8:10])(-[#6:15])-[H])(-[H])-[H]

EVODEX.1-C455 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:13]=[#8:14]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])=[#8:14].[H]-[#7](-[H])-[#6@:13]-[H]

EVODEX.1-N552 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])=[#8:14].[H]-[#7](-[H])-[#6@:13](-[H])(-[#6:11])-[#6:15]

EVODEX.1-Em18 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](=[#8])-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11]=[#8:10])-[#6:15]

EVODEX.1-Cm22 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:13]=[#8:14]>>[#6]=[#8:14].[#7]-[#6:13]-[H]

EVODEX.1-Nm14 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]

Source Full Reactions

EVODEX.1-R3729

Full Reaction Rendering

[H][C@@:16]([C@@:14]([C:13]([C:12]([H:31])([H:32])[H:33])([H:29])[H:30])([C:15]([H:21])([H:22])[H:23])[H:28])([N:17]([H:24])[H:25])[C:18](=[O:19])[O:20][H:26].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][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][C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:45])([H:46])[H:47])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([C:9](=[O:10])[O:11][H:34])[N:17]([H:24])[H:25].[O:8]=[C:16]([C:14]([C:13]([C:12]([H:31])([H:32])[H:33])([H:29])[H:30])([C:15]([H:21])([H:22])[H:23])[H:28])[C:18](=[O:19])[O:20][H:26]