EVODEX.1-P4518

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C538 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:1].[#8:7]-[#6@:6]-[#6@@:35]-[#6@:37]>>[#8:1]-[#6@@:6]-[#6@:35]-[#6@@:37].[H]-[#8:7]

EVODEX.1-N686 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:1]-[H:39].[#8:5]1-[#6@:4]-[#6@@:37](-[#6@:35](-[#6@@:6]-1(-[#8:7]-[#6:8])-[H:67])(-[#8:36])-[H:69])(-[#8:38])-[H:71]>>[#8:1](-[#6@@:6]1(-[H:67])-[#8:5]-[#6@:4]-[#6@@:37](-[#8:38])(-[H:71])-[#6@:35]-1(-[#8:36])-[H:69])-[H:39].[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-R5352

Full Reaction Rendering

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