EVODEX.1-P1163

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:11]([N:10]([C:9]([C:8]([C:7]([C:6]([N:5]([C:4]([C:3]([C:2]([N:1]([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])[H:35])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])[H:26])([C:12]([C:13]([N:14]([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])[H:24].[O:16]=[O:17].[H][O:15][H]>>[C:11]([C:12]([C:13]([N:14]([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])(=[O:15])[H:24].[H][N:10]([C:9]([C:8]([C:7]([C:6]([N:5]([C:4]([C:3]([C:2]([N:1]([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])[H:35])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])[H:26].[H][O:16][O:17][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-R1091

Full Reaction Rendering

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