EVODEX.1-P4426

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R5261

Full Reaction Rendering

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