EVODEX Logo

EVODEX.1-P4288

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C@@:2]1([H:18])[C:3]([O:4][H:19])([H:20])[O:5][C@@:6]([C:7]([O:8][S:9](=[O:10])(=[O:11])[O:12][H:21])([H:22])[H:23])([H:24])[C@@:13]([O:14][H:25])([H:26])[C@@:15]1([O:16][H:27])[H:28])([H:29])[H:30].[H][O:17][H:31]>>[N:1]([C@@:2]1([H:18])[C:3]([O:4][H:19])([H:20])[O:5][C@@:6]([C:7]([O:17][H:31])([H:22])[H:23])([H:24])[C@@:13]([O:14][H:25])([H:26])[C@@:15]1([O:16][H:27])[H:28])([H:29])[H:30].[H][O:8][S:9](=[O:10])(=[O:11])[O:12][H:21]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E108 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:25](-[#6@@:24])(-[#8:26]-[#16:27])(-[H:43])-[H:44].[#8:37](-[H:85])-[H]>>[#6:25](-[#6@@:24])(-[#8:37]-[H:85])(-[H:43])-[H:44].[#8:26](-[#16:27])-[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-N666 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6:6](-[#8:7]-[#16:8])(-[H:20])-[H:21].[H]-[#8:12]-[H:27]>>[#6:5]-[#6:6](-[#8:12]-[H:27])(-[H:20])-[H:21].[H]-[#8:7]-[#16:8]

EVODEX.1-Em631 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6]-[#8:7]-[#16:8].[H]-[#8:12]>>[#6:5]-[#6:6]-[#8:12].[H]-[#8:7]-[#16:8]

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-Nm566 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6]-[#8:7]-[#16:8].[H]-[#8:12]>>[#6:5]-[#6:6]-[#8:12].[H]-[#8:7]-[#16:8]

Source Full Reactions

EVODEX.1-R5132

Full Reaction Rendering

[N:1]([C@@:2]1([H:18])[C:3]([O:4][H:19])([H:20])[O:5][C@@:6]([C:7]([O:8][S:9](=[O:10])(=[O:11])[O:12][H:21])([H:22])[H:23])([H:24])[C@@:13]([O:14][H:25])([H:26])[C@@:15]1([O:16][H:27])[H:28])([H:29])[H:30].[H][O:17][H:31]>>[N:1]([C@@:2]1([H:18])[C:3]([O:4][H:19])([H:20])[O:5][C@@:6]([C:7]([O:17][H:31])([H:22])[H:23])([H:24])[C@@:13]([O:14][H:25])([H:26])[C@@:15]1([O:16][H:27])[H:28])([H:29])[H:30].[H][O:8][S:9](=[O:10])(=[O:11])[O:12][H:21]