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EVODEX.1-P3045

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:1]([C:2]([C@:3]([N:4]([H:18])[H:19])([C:5](=[O:6])[O:7][H:20])[H:21])([H:22])[H:23])([H:24])[H:25].[N:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:27])([H:28])[H:29])([H:30])[H:31])([C:15](=[O:16])[O:17][H:32])[H:33])([H:34])[H:35]>>[C:1]([C:2]([C@:3]([N:4]([H:18])[H:19])([C:5](=[O:6])[O:7][H:20])[H:21])([H:22])[H:23])([C:12](=[O:13])[O:14][H:27])([H:24])[H:25].[H][C:11]([C:10]([C:9]([N:8]([H:34])[H:35])([C:15](=[O:16])[O:17][H:32])[H:33])([H:30])[H:31])([H:28])[H:29]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E234 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:51]-[#6:52](-[#6:53](=[#8:54])-[#8:55])(-[H:83])-[H:84].[#6:56](-[#6:57])(-[H:104])(-[H:105])-[H]>>[#6:53](=[#8:54])(-[#8:55])-[#6:56](-[#6:57])(-[H:104])-[H:105].[#6:51]-[#6:52](-[H:83])(-[H:84])-[H]

EVODEX.1-C20 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:1]-[#6@@:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6@@:61]

EVODEX.1-N286 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6:2])(-[H:24])-[H:25].[#6:10]-[#6:11](-[#6:12](=[#8:13])-[#8:14])(-[H:28])-[H:29]>>[#6:1](-[#6:2])(-[#6:12](=[#8:13])-[#8:14])(-[H:24])-[H:25].[H]-[#6:11](-[#6:10])(-[H:28])-[H:29]

EVODEX.1-Em409 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2].[#6:10]-[#6:11]-[#6:12](=[#8:13])-[#8:14]>>[#6:1](-[#6:2])-[#6:12](=[#8:13])-[#8:14].[H]-[#6:11]-[#6:10]

EVODEX.1-Cm57 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:1]-[#6:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6:61]

EVODEX.1-Nm369 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2].[#6:10]-[#6:11]-[#6:12](=[#8:13])-[#8:14]>>[#6:1](-[#6:2])-[#6:12](=[#8:13])-[#8:14].[H]-[#6:11]-[#6:10]

Source Full Reactions

EVODEX.1-R3695

Full Reaction Rendering

[H][C:1]([C:2]([C@:3]([N:4]([H:18])[H:19])([C:5](=[O:6])[O:7][H:20])[H:21])([H:22])[H:23])([H:24])[H:25].[N:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:27])([H:28])[H:29])([H:30])[H:31])([C:15](=[O:16])[O:17][H:32])[H:33])([H:34])[H:35]>>[C:1]([C:2]([C@:3]([N:4]([H:18])[H:19])([C:5](=[O:6])[O:7][H:20])[H:21])([H:22])[H:23])([C:12](=[O:13])[O:14][H:27])([H:24])[H:25].[H][C:11]([C:10]([C:9]([N:8]([H:34])[H:35])([C:15](=[O:16])[O:17][H:32])[H:33])([H:30])[H:31])([H:28])[H:29]