EVODEX Logo

EVODEX.1-P4303

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R5148

Full Reaction Rendering

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