EVODEX Logo

EVODEX.1-P4479

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:1][H:19].[O:2]([C@:3]1([H:21])[C@:4]([O:5][H:22])([H:23])[C@@:6]([O:7][C:8]([C:9]2:[C:10]([H:24]):[C:11]([H:25]):[C:12]([H:26]):[C:13]([H:27]):[C:14]:2[H:28])([H:29])[H:30])([H:31])[O:15][C:16]([H:32])([H:33])[C@:17]1([O:18][H:34])[H:35])[H:36]>>[O:1]([C@@:6]1([H:31])[C@@:4]([O:5][H:22])([H:23])[C@:3]([O:2][H:36])([H:21])[C@@:17]([O:18][H:34])([H:35])[C:16]([H:32])([H:33])[O:15]1)[H:19].[H][O:7][C:8]([C:9]1:[C:10]([H:24]):[C:11]([H:25]):[C:12]([H:26]):[C:13]([H:27]):[C:14]:1[H:28])([H:29])[H:30]

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-R5320

Full Reaction Rendering

[H][O:1][H:19].[O:2]([C@:3]1([H:21])[C@:4]([O:5][H:22])([H:23])[C@@:6]([O:7][C:8]([C:9]2:[C:10]([H:24]):[C:11]([H:25]):[C:12]([H:26]):[C:13]([H:27]):[C:14]:2[H:28])([H:29])[H:30])([H:31])[O:15][C:16]([H:32])([H:33])[C@:17]1([O:18][H:34])[H:35])[H:36]>>[O:1]([C@@:6]1([H:31])[C@@:4]([O:5][H:22])([H:23])[C@:3]([O:2][H:36])([H:21])[C@@:17]([O:18][H:34])([H:35])[C:16]([H:32])([H:33])[O:15]1)[H:19].[H][O:7][C:8]([C:9]1:[C:10]([H:24]):[C:11]([H:25]):[C:12]([H:26]):[C:13]([H:27]):[C:14]:1[H:28])([H:29])[H:30]