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EVODEX.1-P4304

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[C:3]([C@:4]([O:5][C@@:6]1([H:25])[O:7][C@@:8]([C:9]([O:10][H:26])([H:27])[H:28])([H:29])[C@:11]([O:12][H:30])([H:31])[C@@:13]([O:14][H:32])([H:33])[C@:15]1([O:16][H:34])[H:35])([C@@:17]([O:18][H:36])([C@:19]([O:20][H:37])([C@:21]([O:22][H:38])([C:23]([O:24][H:39])([H:40])[H:41])[H:42])[H:43])[H:44])[H:45])[H:46]>>[H]O[C@@:4]([C:3](=[O:2])[H:46])([C@@:17]([O:18][H:36])([C@:19]([O:20][H:37])([C@:21]([O:22][H:38])([C:23]([O:24][H:39])([H:40])[H:41])[H:42])[H:43])[H:44])[H:45].[H][O:5][C:6]1([H:25])[O:7][C@@:8]([C:9]([O:10][H:26])([H:27])[H:28])([H:29])[C@:11]([O:12][H:30])([H:31])[C@@:13]([O:14][H:32])([H:33])[C@:15]1([O:16][H:34])[H:35]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E392 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:9](-[#6@@:8](-[#6@@:6])(-[#6@:25])-[H:48])-[#6@:10](-[H:31])(-[#8:11])-[#6@:23]>>[#8](-[#6@@:8](-[#6@@:6])(-[#6@:25])-[H:48])-[H].[#8:9](-[#6:10](-[H:31])(-[#8:11])-[#6@:23])-[H]

EVODEX.1-C525 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:19]-[#8:20]-[#6@@:21]>>[H]-[#8]-[#6:19].[H]-[#8:20]-[#6:21]

EVODEX.1-N1378 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#6@@:5](-[#6:6])(-[#8:8]-[#6@@:9](-[H:28])(-[#8:10])-[#6@@:22])-[H:40]>>[H]-[#8]-[#6@@:5](-[#6:3])(-[#6:6])-[H:40].[H]-[#8:8]-[#6:9](-[H:28])(-[#8:10])-[#6@@:22]

EVODEX.1-Em116 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:27]-[#6:36](-[#6:34])-[#8:37]-[#6:38]>>[H]-[#8]-[#6:36](-[#6:27])-[#6:34].[H]-[#8:37]-[#6:38]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm150 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:27]-[#6:36](-[#6:34])-[#8:37]-[#6:38]>>[H]-[#8]-[#6:36](-[#6:27])-[#6:34].[H]-[#8:37]-[#6:38]

Source Full Reactions

EVODEX.1-R5150

Full Reaction Rendering

[O:2]=[C:3]([C@:4]([O:5][C@@:6]1([H:25])[O:7][C@@:8]([C:9]([O:10][H:26])([H:27])[H:28])([H:29])[C@:11]([O:12][H:30])([H:31])[C@@:13]([O:14][H:32])([H:33])[C@:15]1([O:16][H:34])[H:35])([C@@:17]([O:18][H:36])([C@:19]([O:20][H:37])([C@:21]([O:22][H:38])([C:23]([O:24][H:39])([H:40])[H:41])[H:42])[H:43])[H:44])[H:45])[H:46].[H][O:1][H:47]>>[O:1]([C@@:4]([C:3](=[O:2])[H:46])([C@@:17]([O:18][H:36])([C@:19]([O:20][H:37])([C@:21]([O:22][H:38])([C:23]([O:24][H:39])([H:40])[H:41])[H:42])[H:43])[H:44])[H:45])[H:47].[H][O:5][C:6]1([H:25])[O:7][C@@:8]([C:9]([O:10][H:26])([H:27])[H:28])([H:29])[C@:11]([O:12][H:30])([H:31])[C@@:13]([O:14][H:32])([H:33])[C@:15]1([O:16][H:34])[H:35]