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EVODEX.1-P584

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:21][C:20]1=[C:22]([O:23][H])[C:13](=[O:12])[O:14][C@@:15]1([C@@:16]([O:17][H:26])([C:18]([O:19][H:27])([H:28])[H:29])[H:30])[H:31].[H][C:4]([C:2](=[O:1])[O:3][H:34])([N:5]([C:6](=[O:7])[C:8]([F:9])([F:10])[F:11])[H:35])[H:36].[O:24]=[O:25]>>[O:12]=[C:13]1[O:14][C@@:15]([C@@:16]([O:17][H:26])([C:18]([O:19][H:27])([H:28])[H:29])[H:30])([H:31])[C:20](=[O:21])[C:22]1=[O:23].[H][O:24][C:4]([C:2](=[O:1])[O:3][H:34])([N:5]([C:6](=[O:7])[C:8]([F:9])([F:10])[F:11])[H:35])[H:36].[H][O:25][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E300 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:8]-[#6:9](-[#6:10])(-[H:34])-[H].[#8:19]=[#6:20]-[#6:29](=[#6:27]-[#8:28]-[H])-[#8:30]-[H].[#8:31]=[#8:32]>>[#7:8]-[#6:9](-[#6:10])(-[#8:31]-[H])-[H:34].[#8:19]=[#6:20]-[#6:29](-[#6:27]=[#8:28])=[#8:30].[#8:32](-[H])-[H]

EVODEX.1-C221 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:25].([H]-[#8:38].[#8:40]-[H]).[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25].([#8:38].[#8:40]).[H]-[#8:42]-[H]

EVODEX.1-N199 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:25](-[#7:24])(-[#6:26])-[H:53].[H]-[#8:38]-[#6:37]=[#6:39]-[#8:40]-[H].[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25](-[#7:24])(-[#6:26])-[H:53].[#6:37](=[#8:38])-[#6:39]=[#8:40].[H]-[#8:42]-[H]

EVODEX.1-Em281 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:25](-[#7:24])-[#6:26].[H]-[#8:38]-[#6:37]=[#6:39](-[#8:40]-[H])-[#6:30]=[#8:29].[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25](-[#7:24])-[#6:26].[#8:29]=[#6:30]-[#6:39](-[#6:37]=[#8:38])=[#8:40].[H]-[#8:42]-[H]

EVODEX.1-Cm199 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:25].([H]-[#8:38].[#8:40]-[H]).[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25].([#8:38].[#8:40]).[H]-[#8:42]-[H]

EVODEX.1-Nm279 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:25](-[#7:24])-[#6:26].[H]-[#8:38]-[#6:37]=[#6:39]-[#8:40]-[H].[#8:41]=[#8:42]>>[H]-[#8:41]-[#6:25](-[#7:24])-[#6:26].[#6:37](=[#8:38])-[#6:39]=[#8:40].[H]-[#8:42]-[H]

Source Full Reactions

EVODEX.1-R550

Full Reaction Rendering

[H][O:21][C:20]1=[C:22]([O:23][H])[C:13](=[O:12])[O:14][C@@:15]1([C@@:16]([O:17][H:26])([C:18]([O:19][H:27])([H:28])[H:29])[H:30])[H:31].[H][C:4]([C:2](=[O:1])[O:3][H:34])([N:5]([C:6](=[O:7])[C:8]([F:9])([F:10])[F:11])[H:35])[H:36].[O:24]=[O:25]>>[O:12]=[C:13]1[O:14][C@@:15]([C@@:16]([O:17][H:26])([C:18]([O:19][H:27])([H:28])[H:29])[H:30])([H:31])[C:20](=[O:21])[C:22]1=[O:23].[H][O:24][C:4]([C:2](=[O:1])[O:3][H:34])([N:5]([C:6](=[O:7])[C:8]([F:9])([F:10])[F:11])[H:35])[H:36].[H][O:25][H]