SMIRKS
[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[N:8]([C:9]1:[C:10]([H:16]):[C:11]([H:17]):[C:12]([H:18]):[C:13]([H:19]):[C:14]:1[H:20])[H:21]>>[H][N:8]([C:9]1:[C:10]([H:16]):[C:11]([H:17]):[C:12]([H:18]):[C:13]([H:19]):[C:14]:1[H:20])[H:21]
Derived Operators
EVODEX.1-F143 - Elemental Balance
O | -1 |
C | -6 |
H | -10 |
EVODEX.1-M114 - Mass Difference
-98.0732
EVODEX.1-E800 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#7:8](-[#6:9])-[H:21])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#7:8](-[#6:9])(-[H:21])-[H]
EVODEX.1-C517 - Reaction Operator C
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:8]>>[H]-[#7:8]
EVODEX.1-N653 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:8](-[#6:9])-[H:21]>>[H]-[#7:8](-[#6:9])-[H:21]
Source Full Reactions
EVODEX.1-R6373
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[N:8]([C:9]1:[C:10]([H:16]):[C:11]([H:17]):[C:12]([H:18]):[C:13]([H:19]):[C:14]:1[H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][O:15][H:33]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:15][H:33])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][N:8]([C:9]1:[C:10]([H:16]):[C:11]([H:17]):[C:12]([H:18]):[C:13]([H:19]):[C:14]:1[H:20])[H:21]