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EVODEX.1-P2569

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:14]=[P:15]([O:16][H:42])([O:17][H:43])[O:18][P:19](=[O:20])([O:21][H:44])[O:22][C:23]([C:24](=[C:25]1[C:26]([H:45])([H:46])[C:27]([H:47])([H:48])[C:28]([H:49])([H:50])[C:29]([H:51])([H:52])[C:30]1([H:53])[H:54])[H:55])([H:56])[H:57]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[C:23]([C:24](=[C:25]1[C:26]([H:45])([H:46])[C:27]([H:47])([H:48])[C:28]([H:49])([H:50])[C:29]([H:51])([H:52])[C:30]1([H:53])[H:54])[H:55])([H:56])[H:57].[H][O:22][P:19]([O:18][P:15](=[O:14])([O:16][H:42])[O:17][H:43])(=[O:20])[O:21][H:44]

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-R3308

Full Reaction Rendering

[H][C:5]1:[C:4]([C:3]([C@:2]([N:1]([H:40])[H:41])([C:11](=[O:12])[O:13][H:38])[H:39])([H:36])[H:37]):[C:10]([H:35]):[C:9]([H:34]):[C:7]([O:8][H:33]):[C:6]:1[H:32].[O:14]=[P:15]([O:16][H:42])([O:17][H:43])[O:18][P:19](=[O:20])([O:21][H:44])[O:22][C:23]([C:24](=[C:25]1[C:26]([H:45])([H:46])[C:27]([H:47])([H:48])[C:28]([H:49])([H:50])[C:29]([H:51])([H:52])[C:30]1([H:53])[H:54])[H:55])([H:56])[H:57]>>[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([C:23]([C:24](=[C:25]2[C:26]([H:45])([H:46])[C:27]([H:47])([H:48])[C:28]([H:49])([H:50])[C:29]([H:51])([H:52])[C:30]2([H:53])[H:54])[H:55])([H:56])[H:57]):[C:6]([H:32]):[C:7]([O:8][H:33]):[C:9]([H:34]):[C:10]:1[H:35])([H:36])[H:37])([C:11](=[O:12])[O:13][H:38])[H:39])([H:40])[H:41].[H][O:22][P:19]([O:18][P:15](=[O:14])([O:16][H:42])[O:17][H:43])(=[O:20])[O:21][H:44]