EVODEX.1-P1082

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:29])[O:11][H:30])([H:31])[H:32]):[C:4]([H:28]):[N:3]:[C:2]([C:1]([H:47])([H:48])[H:49]):[C:23]:1[O:24][H:46])([N:14]([C@@:15]([C:16]([C:17]([C:18]([N:19]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([C:20](=[O:21])[O:22][H:41])[H:42])[H:43])[H:44].[O:26]=[O:27].[H][O:25][H]>>[C:1]([C:2]1:[N:3]:[C:4]([H:28]):[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:29])[O:11][H:30])([H:31])[H:32]):[C:12]([C:13](=[O:25])[H:44]):[C:23]:1[O:24][H:46])([H:47])([H:48])[H:49].[H][N:14]([C@@:15]([C:16]([C:17]([C:18]([N:19]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([C:20](=[O:21])[O:22][H:41])[H:42])[H:43].[H][O:26][O:27][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-R1024

Full Reaction Rendering

[H][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:29])[O:11][H:30])([H:31])[H:32]):[C:4]([H:28]):[N:3]:[C:2]([C:1]([H:47])([H:48])[H:49]):[C:23]:1[O:24][H:46])([N:14]([C@@:15]([C:16]([C:17]([C:18]([N:19]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([C:20](=[O:21])[O:22][H:41])[H:42])[H:43])[H:44].[O:26]=[O:27].[H][O:25][H]>>[C:1]([C:2]1:[N:3]:[C:4]([H:28]):[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:29])[O:11][H:30])([H:31])[H:32]):[C:12]([C:13](=[O:25])[H:44]):[C:23]:1[O:24][H:46])([H:47])([H:48])[H:49].[H][N:14]([C@@:15]([C:16]([C:17]([C:18]([N:19]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([C:20](=[O:21])[O:22][H:41])[H:42])[H:43].[H][O:26][O:27][H]