EVODEX.1-P3892

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E82 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#8:2]-[#6:3])(-[H:36])(-[H:37])-[H:38].[#8:21](-[H:39])-[H]>>[#6:1](-[#8:21]-[H:39])(-[H:36])(-[H:37])-[H:38].[#8:2](-[#6:3])-[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-N617 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1](-[#8:2]-[#6:3])(-[H:21])(-[H:22])-[H:23].[H]-[#8:14]-[H:24]>>[#6:1](-[#8:14]-[H:24])(-[H:21])(-[H:22])-[H:23].[H]-[#8:2]-[#6:3]

EVODEX.1-Em590 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#8:2]-[#6:3].[H]-[#8:14]>>[#6:1]-[#8:14].[H]-[#8:2]-[#6:3]

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-Nm529 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#8:2]-[#6:3].[H]-[#8:14]>>[#6:1]-[#8:14].[H]-[#8:2]-[#6:3]

Source Full Reactions

EVODEX.1-R4750

Full Reaction Rendering

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