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EVODEX.1-P550

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:20]([C@:19]([N:18]([H:53])[H:54])([C:26](=[O:27])[O:28][H:51])[H:52])([S:21][C:22]([C:23](=[O:24])[O:25][H:46])([H:47])[H:48])[H:49]>>[H]O[C:20]([C@:19]([N:18]([H:53])[H:54])([C:26](=[O:27])[O:28][H:51])[H:52])([S:21][C:22]([C:23](=[O:24])[O:25][H:46])([H:47])[H:48])[H:49]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E415 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5]>>[H]-[#8]-[#6:5]

EVODEX.1-N177 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em259 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5]>>[#8]-[#6:5]

EVODEX.1-Nm257 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R527

Full Reaction Rendering

[H][C@:6]1([C@:4]([C@:2]([C:1]([H:43])([H:44])[H:45])([O:3][H:31])[H:42])([O:5][H:32])[H:41])[C:7]([H:34])([H:35])[N:8]([H:36])[C:9]2:[N:10]([H:37]):[C:11](=[N:12][H:38]):[N:13]([H:39]):[C:14](=[O:15]):[C:16]:2[N:17]1[H].[H][C:20]([C@:19]([N:18]([H:53])[H:54])([C:26](=[O:27])[O:28][H:51])[H:52])([S:21][C:22]([C:23](=[O:24])[O:25][H:46])([H:47])[H:48])[H:49].[O:29]=[O:30]>>[C:1]([C@:2]([O:3][H:31])([C@:4]([O:5][H:32])([C:6]1=[N:17][C:16]2:[C:9](:[N:10]([H:37]):[C:11](=[N:12][H:38]):[N:13]([H:39]):[C:14]:2=[O:15])[N:8]([H:36])[C:7]1([H:34])[H:35])[H:41])[H:42])([H:43])([H:44])[H:45].[H][O:29][C:20]([C@:19]([N:18]([H:53])[H:54])([C:26](=[O:27])[O:28][H:51])[H:52])([S:21][C:22]([C:23](=[O:24])[O:25][H:46])([H:47])[H:48])[H:49].[H][O:30][H]