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EVODEX.1-P2564

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:33])[O:9][P:10](=[O:11])([O:12][H:34])[O:13][H:35])([H:36])[H:37])[H:38])[C:14]1:[C:15]([H:39]):[C:16]([H:40]):[C:17]([H:41]):[C:18]([H:42]):[C:19]:1[H:43])([H:44])([H:45])[H:46]>>[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:3](=[C:2]([C:1]([H:44])([H:45])[H:46])[C:14]1:[C:15]([H:39]):[C:16]([H:40]):[C:17]([H:41]):[C:18]([H:42]):[C:19]:1[H:43])[H:38])([H:36])[H:37].[H][O:5][P:6](=[O:7])([O:8][H:33])[O:9][P:10](=[O:11])([O:12][H:34])[O:13][H:35]

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-R3304

Full Reaction Rendering

[C:1]([C:2](=[C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:33])[O:9][P:10](=[O:11])([O:12][H:34])[O:13][H:35])([H:36])[H:37])[H:38])[C:14]1:[C:15]([H:39]):[C:16]([H:40]):[C:17]([H:41]):[C:18]([H:42]):[C:19]:1[H:43])([H:44])([H:45])[H:46].[H][C:24]1:[C:23]([C:22]([C@:21]([N:20]([H:56])[H:57])([C:30](=[O:31])[O:32][H:54])[H:55])([H:52])[H:53]):[C:29]([H:51]):[C:28]([H:50]):[C:26]([O:27][H:49]):[C:25]:1[H:48]>>[C:1]([C:2](=[C:3]([C:4]([C:24]1:[C:23]([C:22]([C@:21]([N:20]([H:56])[H:57])([C:30](=[O:31])[O:32][H:54])[H:55])([H:52])[H:53]):[C:29]([H:51]):[C:28]([H:50]):[C:26]([O:27][H:49]):[C:25]:1[H:48])([H:36])[H:37])[H:38])[C:14]1:[C:15]([H:39]):[C:16]([H:40]):[C:17]([H:41]):[C:18]([H:42]):[C:19]:1[H:43])([H:44])([H:45])[H:46].[H][O:5][P:6](=[O:7])([O:8][H:33])[O:9][P:10](=[O:11])([O:12][H:34])[O:13][H:35]