EVODEX.1-P4497

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C@@:2]1([H:22])[O:3][C@@:4]([O:5][C@@:6]2([H:23])[C@@:7]([O:8][H:24])([H:25])[C@:9]([O:10][H:26])([H:27])[C:11]([H:28])([H:29])[O:12][C@:13]2([O:14][H:30])[H:31])([H:32])[C@@:15]([O:16][H:33])([H:34])[C@:17]([O:18][H:35])([H:36])[C@:19]1([O:20][H:37])[H:38])([H:39])([H:40])[H:41].[H][O:21][H:42]>>[C:1]([C@@:2]1([H:22])[O:3][C@:4]([O:21][H:42])([H:32])[C@@:15]([O:16][H:33])([H:34])[C@:17]([O:18][H:35])([H:36])[C@:19]1([O:20][H:37])[H:38])([H:39])([H:40])[H:41].[H][O:5][C@@:6]1([H:23])[C@@:7]([O:8][H:24])([H:25])[C@:9]([O:10][H:26])([H:27])[C:11]([H:28])([H:29])[O:12][C@:13]1([O:14][H:30])[H:31]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E141 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6](-[#6@@:5])(-[#8:7]-[#6@:8])(-[H:81])-[#8:42].[#8:50](-[H:94])-[H]>>[#6:6](-[#6@@:5])(-[#8:50]-[H:94])(-[H:81])-[#8:42].[#8:7](-[#6@:8])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N1130 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:3]-[#6@@:4](-[#8:5]-[#6@@:6])(-[H:32])-[#6@@:15].[H]-[#8:21]-[H:42]>>[#8:3]-[#6@:4](-[#8:21]-[H:42])(-[H:32])-[#6@@:15].[H]-[#8:5]-[#6@@:6]

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-R5337

Full Reaction Rendering

[C:1]([C@@:2]1([H:22])[O:3][C@@:4]([O:5][C@@:6]2([H:23])[C@@:7]([O:8][H:24])([H:25])[C@:9]([O:10][H:26])([H:27])[C:11]([H:28])([H:29])[O:12][C@:13]2([O:14][H:30])[H:31])([H:32])[C@@:15]([O:16][H:33])([H:34])[C@:17]([O:18][H:35])([H:36])[C@:19]1([O:20][H:37])[H:38])([H:39])([H:40])[H:41].[H][O:21][H:42]>>[C:1]([C@@:2]1([H:22])[O:3][C@:4]([O:21][H:42])([H:32])[C@@:15]([O:16][H:33])([H:34])[C@:17]([O:18][H:35])([H:36])[C@:19]1([O:20][H:37])[H:38])([H:39])([H:40])[H:41].[H][O:5][C@@:6]1([H:23])[C@@:7]([O:8][H:24])([H:25])[C@:9]([O:10][H:26])([H:27])[C:11]([H:28])([H:29])[O:12][C@:13]1([O:14][H:30])[H:31]