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EVODEX.1-P583

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:12]([N:11]([C:9]([C:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:46])[H:47])([C:16](=[O:17])[O:18][H:44])[H:45])([H:42])[H:43])([H:40])[H:41])=[O:6])[H:39])([H:37])[H:38])=[O:10])[H:36])([C:13](=[O:14])[O:15][H:33])[H:34].O=[O:31]>>[H][O:31][C:12]([N:11]([C:9]([C:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:46])[H:47])([C:16](=[O:17])[O:18][H:44])[H:45])([H:42])[H:43])([H:40])[H:41])=[O:6])[H:39])([H:37])[H:38])=[O:10])[H:36])([C:13](=[O:14])[O:15][H:33])[H:34]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E438 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:4]-[#6:5](-[#6:6])(-[H:35])-[H].[#8:23]=[#8]>>[#7:4]-[#6:5](-[#6:6])(-[#8:23]-[H])-[H:35]

EVODEX.1-C21 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N165 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:18](-[#7:17])(-[#6:19])-[H:46].[#8]=[#8:37]>>[H]-[#8:37]-[#6:18](-[#7:17])(-[#6:19])-[H:46]

EVODEX.1-Em247 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:18](-[#7:17])-[#6:19].[#8]=[#8:37]>>[H]-[#8:37]-[#6:18](-[#7:17])-[#6:19]

EVODEX.1-Cm40 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm245 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:18](-[#7:17])-[#6:19].[#8]=[#8:37]>>[H]-[#8:37]-[#6:18](-[#7:17])-[#6:19]

Source Full Reactions

EVODEX.1-R549

Full Reaction Rendering

[H][C:12]([N:11]([C:9]([C:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:46])[H:47])([C:16](=[O:17])[O:18][H:44])[H:45])([H:42])[H:43])([H:40])[H:41])=[O:6])[H:39])([H:37])[H:38])=[O:10])[H:36])([C:13](=[O:14])[O:15][H:33])[H:34].[H][O:28][C:27]1=[C:29]([O:30][H])[C:20](=[O:19])[O:21][C@@:22]1([C@@:23]([O:24][H:48])([C:25]([O:26][H:49])([H:50])[H:51])[H:52])[H:53].[O:31]=[O:32]>>[H][O:31][C:12]([N:11]([C:9]([C:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:46])[H:47])([C:16](=[O:17])[O:18][H:44])[H:45])([H:42])[H:43])([H:40])[H:41])=[O:6])[H:39])([H:37])[H:38])=[O:10])[H:36])([C:13](=[O:14])[O:15][H:33])[H:34].[O:19]=[C:20]1[O:21][C@@:22]([C@@:23]([O:24][H:48])([C:25]([O:26][H:49])([H:50])[H:51])[H:52])([H:53])[C:27](=[O:28])[C:29]1=[O:30].[H][O:32][H]