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EVODEX.1-P569

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:4][C:3]([C:2]([N:1]([H:34])[H:35])([H:32])[H:33])([C:5]1:[C:6]([H:26]):[C:7]([H:27]):[C:8]([O:9][H:28]):[C:10]([H:29]):[C:11]:1[H:30])[H:31]>>[H][C:3]([C:2]([N:1]([H:34])[H:35])([H:32])[H:33])([C:5]1:[C:6]([H:26]):[C:7]([H:27]):[C:8]([O:9][H:28]):[C:10]([H:29]):[C:11]:1[H:30])[H:31].O=[O:4]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E419 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:23](-[#6@@:15])(-[#8:24]-[H])(-[#6:25])-[H:171]>>[#6:23](-[#6@@:15])(-[#6:25])(-[H:171])-[H].[#8:24]=[#8]

EVODEX.1-C209 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:4]-[#6:3]>>[H]-[#6:3].[#8]=[#8:4]

EVODEX.1-N149 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:4]-[#6:3](-[#6:2])(-[#6:5])-[H:31]>>[H]-[#6:3](-[#6:2])(-[#6:5])-[H:31].[#8]=[#8:4]

EVODEX.1-Em231 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:4]-[#6:3](-[#6:2])-[#6:5]>>[H]-[#6:3](-[#6:2])-[#6:5].[#8]=[#8:4]

EVODEX.1-Cm187 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:4]-[#6:3]>>[H]-[#6:3].[#8]=[#8:4]

EVODEX.1-Nm229 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:4]-[#6:3](-[#6:2])-[#6:5]>>[H]-[#6:3](-[#6:2])-[#6:5].[#8]=[#8:4]

Source Full Reactions

EVODEX.1-R539

Full Reaction Rendering

[H][O:4][C:3]([C:2]([N:1]([H:34])[H:35])([H:32])[H:33])([C:5]1:[C:6]([H:26]):[C:7]([H:27]):[C:8]([O:9][H:28]):[C:10]([H:29]):[C:11]:1[H:30])[H:31].[O:13]=[C:14]1[O:15][C@@:16]([C@@:17]([O:18][H:36])([C:19]([O:20][H:37])([H:38])[H:39])[H:40])([H:41])[C:21](=[O:22])[C:23]1=[O:24].[H][O:12][H]>>[H][C:3]([C:2]([N:1]([H:34])[H:35])([H:32])[H:33])([C:5]1:[C:6]([H:26]):[C:7]([H:27]):[C:8]([O:9][H:28]):[C:10]([H:29]):[C:11]:1[H:30])[H:31].[H][O:22][C:21]1=[C:23]([O:24][H])[C:14](=[O:13])[O:15][C@@:16]1([C@@:17]([O:18][H:36])([C:19]([O:20][H:37])([H:38])[H:39])[H:40])[H:41].[O:4]=[O:12]