EVODEX Logo

EVODEX.1-P365

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:18]1([H:27])[C@:16]([F:17])([H:26])[C:15]([H:24])([H:25])[C@:14]([C:12](=[O:11])[O:13][H:22])([H:23])[N:19]1[H:29].[H]OC(=O)[C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:30])([H:34])[H:35])([H:32])[H:33])=[O:7]>>[H]O[C:18]1([H:27])[C@:16]([F:17])([H:26])[C:15]([H:24])([H:25])[C@:14]([C:12](=[O:11])[O:13][H:22])([H:23])[N:19]1[H:29].[H]O[C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:30])([H:34])[H:35])([H:32])[H:33])=[O:7]

Derived Operators

EVODEX.1-F91 - Elemental Balance

C-1

EVODEX.1-M42 - Mass Difference

-12.0

EVODEX.1-E666 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:4]-[#6:5](-[#6:6])(-[H:36])-[H].[#6:18]-[#6:19](=[#8:20])-[#6](=[#8])-[#8]-[H]>>[#7:4]-[#6:5](-[#6:6])(-[#8]-[H])-[H:36].[#6:18]-[#6:19](=[#8:20])-[#8]-[H]

EVODEX.1-C56 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:4].[H]-[#8]-[#6](=[#8])-[#6:15]>>[H]-[#8]-[#6:4].[H]-[#8]-[#6:15]

EVODEX.1-N161 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:99](-[H:207])(-[#7:98])-[#6:100].[H]-[#8]-[#6](=[#8])-[#6:126](-[#6:125])=[#8:127]>>[H]-[#8]-[#6:99](-[H:207])(-[#7:98])-[#6:100].[H]-[#8]-[#6:126](-[#6:125])=[#8:127]

EVODEX.1-Em243 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:99](-[#7:98])-[#6:100].[#8]-[#6](=[#8])-[#6:126](-[#6:125])=[#8:127]>>[H]-[#8]-[#6:99](-[#7:98])-[#6:100].[H]-[#8]-[#6:126](-[#6:125])=[#8:127]

EVODEX.1-Cm93 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:4].[#6]-[#6:15]>>[#8]-[#6:4].[#8]-[#6:15]

EVODEX.1-Nm241 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:99](-[#7:98])-[#6:100].[#8]-[#6](=[#8])-[#6:126](-[#6:125])=[#8:127]>>[H]-[#8]-[#6:99](-[#7:98])-[#6:100].[H]-[#8]-[#6:126](-[#6:125])=[#8:127]

Source Full Reactions

EVODEX.1-R374

Full Reaction Rendering

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