EVODEX.1-P1075

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E214 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#7:3](-[#6:4])-[H:28])(-[H:29])-[H].[#8:14]=[#8:15].[#8:13](-[H])-[H]>>[#6:1]-[#6:2](=[#8:13])-[H:29].[#7:3](-[#6:4])(-[H:28])-[H].[#8:14](-[#8:15]-[H])-[H]

EVODEX.1-C29 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]-[#7:2].[#8:13]=[#8:14].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]

EVODEX.1-N251 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:11](-[#7:10](-[#6:9])-[H:26])(-[#6:12])-[H:24].[#8:16]=[#8:17].[H]-[#8:15]-[H]>>[#6:11](-[#6:12])(=[#8:15])-[H:24].[H]-[#7:10](-[#6:9])-[H:26].[H]-[#8:16]-[#8:17]-[H]

EVODEX.1-Em373 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:11](-[#7:10]-[#6:9])-[#6:12].[#8:16]=[#8:17].[H]-[#8:15]-[H]>>[#6:11](-[#6:12])=[#8:15].[H]-[#7:10]-[#6:9].[H]-[#8:16]-[#8:17]-[H]

EVODEX.1-Cm68 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#7:2].[#8:13]=[#8:14].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]

EVODEX.1-Nm333 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:11](-[#7:10]-[#6:9])-[#6:12].[#8:16]=[#8:17].[H]-[#8:15]-[H]>>[#6:11](-[#6:12])=[#8:15].[H]-[#7:10]-[#6:9].[H]-[#8:16]-[#8:17]-[H]

Source Full Reactions

EVODEX.1-R1019

Full Reaction Rendering

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