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EVODEX.1-P3950

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:1][H:25].[O:2]([C:3]([C@@:4]1([H:27])[O:5][C@:6]([O:7][C@@:8]2([H:28])[C@@:9]([O:10][H:29])([H:30])[C@:11]([O:12][H:31])([H:32])[C@:13]([O:14][H:33])([H:34])[O:15][C@@:16]2([C:17]([O:18][H:35])([H:36])[H:37])[H:38])([H:39])[C@@:19]([O:20][H:40])([H:41])[C@:21]([O:22][H:42])([H:43])[C@@:23]1([O:24][H:44])[H:45])([H:46])[H:47])[H:48]>>[O:1]([C:6]1([H:39])[O:5][C@@:4]([C:3]([O:2][H:48])([H:46])[H:47])([H:27])[C@:23]([O:24][H:44])([H:45])[C@@:21]([O:22][H:42])([H:43])[C@:19]1([O:20][H:40])[H:41])[H:25].[H][O:7][C@@:8]1([H:28])[C@@:9]([O:10][H:29])([H:30])[C@:11]([O:12][H:31])([H:32])[C@:13]([O:14][H:33])([H:34])[O:15][C@@:16]1([C:17]([O:18][H:35])([H:36])[H:37])[H:38]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C81 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:8]-[#6@:7]-[#6@@:18]-[#6@:20]-[#6@@:22].[H]-[#8:1]>>[#8:1]-[#6:7]-[#6@:18]-[#6@@:20]-[#6@:22].[H]-[#8:8]

EVODEX.1-N629 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:6]1-[#6@@:5]-[#6@:22](-[#6@@:20](-[#6@:18](-[#6@@:7]-1(-[#8:8]-[#6:9])-[H:30])(-[#8:19])-[H:32])(-[#8:21])-[H:34])(-[#8:23])-[H:36].[H]-[#8:1]-[H:37]>>[#8:1](-[#6:7]1(-[H:30])-[#8:6]-[#6@@:5]-[#6@:22](-[#8:23])(-[H:36])-[#6@@:20](-[#8:21])(-[H:34])-[#6@:18]-1(-[#8:19])-[H:32])-[H:37].[H]-[#8:8]-[#6:9]

EVODEX.1-Em32 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm33 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]

Source Full Reactions

EVODEX.1-R4801

Full Reaction Rendering

[H][O:1][H:25].[O:2]([C:3]([C@@:4]1([H:27])[O:5][C@:6]([O:7][C@@:8]2([H:28])[C@@:9]([O:10][H:29])([H:30])[C@:11]([O:12][H:31])([H:32])[C@:13]([O:14][H:33])([H:34])[O:15][C@@:16]2([C:17]([O:18][H:35])([H:36])[H:37])[H:38])([H:39])[C@@:19]([O:20][H:40])([H:41])[C@:21]([O:22][H:42])([H:43])[C@@:23]1([O:24][H:44])[H:45])([H:46])[H:47])[H:48]>>[O:1]([C:6]1([H:39])[O:5][C@@:4]([C:3]([O:2][H:48])([H:46])[H:47])([H:27])[C@:23]([O:24][H:44])([H:45])[C@@:21]([O:22][H:42])([H:43])[C@:19]1([O:20][H:40])[H:41])[H:25].[H][O:7][C@@:8]1([H:28])[C@@:9]([O:10][H:29])([H:30])[C@:11]([O:12][H:31])([H:32])[C@:13]([O:14][H:33])([H:34])[O:15][C@@:16]1([C:17]([O:18][H:35])([H:36])[H:37])[H:38]