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EVODEX.1-P2570

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1](=[C:2]([C:3]([H:27])([H:28])[H:29])[C:4]([O:5][P:6](=[O:7])([O:8][H:30])[O:9][P:10](=[O:11])([O:12][H:31])[O:13][H:32])([H:33])[H:34])([H:35])[H:36]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[C:4]([C:2](=[C:1]([H:35])[H:36])[C:3]([H:27])([H:28])[H:29])([H:33])[H:34].[H][O:5][P:6](=[O:7])([O:8][H:30])[O:9][P:10](=[O:11])([O:12][H:31])[O:13][H:32]

Derived Operators

EVODEX.1-F88 - Elemental Balance

O3
C9
N1
H11

EVODEX.1-M61 - Mass Difference

181.07393

EVODEX.1-E658 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#8:4]-[#15:5])(-[H:29])-[H:30]>>[#6:2]-[#6:3](-[#6]1:[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6]:1-[H])(-[H:29])-[H:30].[#8:4](-[#15:5])-[H]

EVODEX.1-C400 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:22]-[#6:23]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[#6:23].[H]-[#8:22]

EVODEX.1-N480 - Reaction Operator N

Reaction Operator N SMIRKS

[#15:19]-[#8:22]-[#6:23](-[#6:24])(-[H:53])-[H:54]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[#6:23](-[#6:24])(-[H:53])-[H:54].[H]-[#8:22]-[#15:19]

EVODEX.1-Em516 - Reaction Operator Em

Reaction Operator Em SMIRKS

nan

EVODEX.1-Cm146 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:39]-[#8:40]>>[#6]-[#6:39].[H]-[#8:40]

EVODEX.1-Nm467 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

nan

Source Full Reactions

EVODEX.1-R3309

Full Reaction Rendering

[C:1](=[C:2]([C:3]([H:27])([H:28])[H:29])[C:4]([O:5][P:6](=[O:7])([O:8][H:30])[O:9][P:10](=[O:11])([O:12][H:31])[O:13][H:32])([H:33])[H:34])([H:35])[H:36].[H][C:18]1:[C:17]([C:16]([C@:15]([N:14]([H:46])[H:47])([C:24](=[O:25])[O:26][H:44])[H:45])([H:42])[H:43]):[C:23]([H:41]):[C:22]([H:40]):[C:20]([O:21][H:39]):[C:19]:1[H:38]>>[C:1](=[C:2]([C:3]([H:27])([H:28])[H:29])[C:4]([C:18]1:[C:17]([C:16]([C@:15]([N:14]([H:46])[H:47])([C:24](=[O:25])[O:26][H:44])[H:45])([H:42])[H:43]):[C:23]([H:41]):[C:22]([H:40]):[C:20]([O:21][H:39]):[C:19]:1[H:38])([H:33])[H:34])([H:35])[H:36].[H][O:5][P:6](=[O:7])([O:8][H:30])[O:9][P:10](=[O:11])([O:12][H:31])[O:13][H:32]