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EVODEX.1-P571

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:3]([C:2]([N:1]([H:54])[H:55])([C:15]1:[C:16]([H:48]):[C:17]([H:49]):[C:18]([O:19][H:50]):[C:20]([H:51]):[C:21]:1[H:52])[H:53])([S:4][C:5]([C:6]([N:7]([H:36])[H:37])([C:8]1:[C:9]([H:38]):[C:10]([H:39]):[C:11]([O:12][H:40]):[C:13]([H:41]):[C:14]:1[H:42])[H:43])([H:44])[H:45])[H:46].O=[O:34]>>[H][O:34][C:3]([C:2]([N:1]([H:54])[H:55])([C:15]1:[C:16]([H:48]):[C:17]([H:49]):[C:18]([O:19][H:50]):[C:20]([H:51]):[C:21]:1[H:52])[H:53])([S:4][C:5]([C:6]([N:7]([H:36])[H:37])([C:8]1:[C:9]([H:38]):[C:10]([H:39]):[C:11]([O:12][H:40]):[C:13]([H:41]):[C:14]:1[H:42])[H:43])([H:44])[H:45])[H:46]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E442 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#16:4])(-[H:31])-[H].[#8:24]=[#8]>>[#6:2]-[#6:3](-[#16:4])(-[#8:24]-[H])-[H:31]

EVODEX.1-C21 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:2].[#8]=[#8:83]>>[H]-[#8:83]-[#6@:2]

EVODEX.1-N176 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:3](-[#6:2])(-[#16:4])-[H:46].[#8]=[#8:34]>>[H]-[#8:34]-[#6:3](-[#6:2])(-[#16:4])-[H:46]

EVODEX.1-Em258 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:3](-[#6:2])-[#16:4].[#8]=[#8:34]>>[H]-[#8:34]-[#6:3](-[#6:2])-[#16:4]

EVODEX.1-Cm40 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:2].[#8]=[#8:83]>>[H]-[#8:83]-[#6:2]

EVODEX.1-Nm256 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:3](-[#6:2])-[#16:4].[#8]=[#8:34]>>[H]-[#8:34]-[#6:3](-[#6:2])-[#16:4]

Source Full Reactions

EVODEX.1-R541

Full Reaction Rendering

[H][C:3]([C:2]([N:1]([H:54])[H:55])([C:15]1:[C:16]([H:48]):[C:17]([H:49]):[C:18]([O:19][H:50]):[C:20]([H:51]):[C:21]:1[H:52])[H:53])([S:4][C:5]([C:6]([N:7]([H:36])[H:37])([C:8]1:[C:9]([H:38]):[C:10]([H:39]):[C:11]([O:12][H:40]):[C:13]([H:41]):[C:14]:1[H:42])[H:43])([H:44])[H:45])[H:46].[H][O:31][C:30]1=[C:32]([O:33][H])[C:23](=[O:22])[O:24][C@@:25]1([C@@:26]([O:27][H:56])([C:28]([O:29][H:57])([H:58])[H:59])[H:60])[H:61].[O:34]=[O:35]>>[H][O:34][C:3]([C:2]([N:1]([H:54])[H:55])([C:15]1:[C:16]([H:48]):[C:17]([H:49]):[C:18]([O:19][H:50]):[C:20]([H:51]):[C:21]:1[H:52])[H:53])([S:4][C:5]([C:6]([N:7]([H:36])[H:37])([C:8]1:[C:9]([H:38]):[C:10]([H:39]):[C:11]([O:12][H:40]):[C:13]([H:41]):[C:14]:1[H:42])[H:43])([H:44])[H:45])[H:46].[O:22]=[C:23]1[O:24][C@@:25]([C@@:26]([O:27][H:56])([C:28]([O:29][H:57])([H:58])[H:59])[H:60])([H:61])[C:30](=[O:31])[C:32]1=[O:33].[H][O:35][H]