EVODEX.1-P5123

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E115 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#8:3]-[H:13])(-[H:14])-[H:15].[#6:5]-[#8:6]-[H]>>[#6:1]-[#6:2](-[#8:6]-[#6:5])(-[H:14])-[H:15].[#8:3](-[H:13])-[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-N630 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:17]-[#6:18](-[#8:19]-[H:20])(-[H:21])-[H:22].[H]-[#8:16]-[#6:14]>>[#6:14]-[#8:16]-[#6:18](-[#6:17])(-[H:21])-[H:22].[H]-[#8:19]-[H:20]

EVODEX.1-Em599 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:17]-[#6:18]-[#8:19].[H]-[#8:16]-[#6:14]>>[#6:14]-[#8:16]-[#6:18]-[#6:17].[H]-[#8:19]

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-Nm535 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:17]-[#6:18]-[#8:19].[H]-[#8:16]-[#6:14]>>[#6:14]-[#8:16]-[#6:18]-[#6:17].[H]-[#8:19]

Source Full Reactions

EVODEX.1-R5893

Full Reaction Rendering

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