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EVODEX.1-P4525

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:1][H:30].[O:2]([C@:3]1([H:32])[C@:4]([O:5][H:33])([H:34])[C@@:6]([O:7][C@:8]2([H:35])[C@:9]([O:10][H:36])([H:37])[C@@:11]([O:12][C@:13]3([H:38])[C@:14]([O:15][H:39])([H:40])[C@@:16]([O:17][H:41])([H:42])[O:18][C:19]([H:43])([H:44])[C@:20]3([O:21][H:45])[H:46])([H:47])[O:22][C:23]([H:48])([H:49])[C@:24]2([O:25][H:50])[H:51])([H:52])[O:26][C:27]([H:53])([H:54])[C@:28]1([O:29][H:55])[H:56])[H:57]>>[O:1]([C@@:6]1([H:52])[C@@:4]([O:5][H:33])([H:34])[C@:3]([O:2][H:57])([H:32])[C@@:28]([O:29][H:55])([H:56])[C:27]([H:53])([H:54])[O:26]1)[H:30].[H][O:7][C@:8]1([H:35])[C@:9]([O:10][H:36])([H:37])[C@@:11]([O:12][C@:13]2([H:38])[C@:14]([O:15][H:39])([H:40])[C@@:16]([O:17][H:41])([H:42])[O:18][C:19]([H:43])([H:44])[C@:20]2([O:21][H:45])[H:46])([H:47])[O:22][C:23]([H:48])([H:49])[C@:24]1([O:25][H:50])[H:51]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C534 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:1].([#8:7]-[#6@@:6]-[#6@:4].[#6@:73])>>([#8:1]-[#6@@:6]-[#6@@:4].[#6@@:73]).[H]-[#8:7]

EVODEX.1-N682 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:1]-[H:75].[#8:5]-[#6@@:4]1(-[#6@:3]-[#6@@:73](-[#6:72]-[#8:71]-[#6@:6]-1(-[#8:7]-[#6@:8])-[H:137])(-[#8:74])-[H:141])-[H:79]>>[#8:1](-[#6@@:6]1(-[H:137])-[#6@@:4](-[#8:5])(-[H:79])-[#6@:3]-[#6@@:73](-[#8:74])(-[H:141])-[#6:72]-[#8:71]-1)-[H:75].[H]-[#8:7]-[#6@:8]

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-R5358

Full Reaction Rendering

[H][O:1][H:30].[O:2]([C@:3]1([H:32])[C@:4]([O:5][H:33])([H:34])[C@@:6]([O:7][C@:8]2([H:35])[C@:9]([O:10][H:36])([H:37])[C@@:11]([O:12][C@:13]3([H:38])[C@:14]([O:15][H:39])([H:40])[C@@:16]([O:17][H:41])([H:42])[O:18][C:19]([H:43])([H:44])[C@:20]3([O:21][H:45])[H:46])([H:47])[O:22][C:23]([H:48])([H:49])[C@:24]2([O:25][H:50])[H:51])([H:52])[O:26][C:27]([H:53])([H:54])[C@:28]1([O:29][H:55])[H:56])[H:57]>>[O:1]([C@@:6]1([H:52])[C@@:4]([O:5][H:33])([H:34])[C@:3]([O:2][H:57])([H:32])[C@@:28]([O:29][H:55])([H:56])[C:27]([H:53])([H:54])[O:26]1)[H:30].[H][O:7][C@:8]1([H:35])[C@:9]([O:10][H:36])([H:37])[C@@:11]([O:12][C@:13]2([H:38])[C@:14]([O:15][H:39])([H:40])[C@@:16]([O:17][H:41])([H:42])[O:18][C:19]([H:43])([H:44])[C@:20]2([O:21][H:45])[H:46])([H:47])[O:22][C:23]([H:48])([H:49])[C@:24]1([O:25][H:50])[H:51]