SMIRKS
[H][O:17][C:16]([C:15]([C:14]([C:13]([C:12]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[O:17][C:16]([C:15]([C:14]([C:13]([C:12]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20]
Derived Operators
EVODEX.1-F160 - Elemental Balance
| O | 2 |
| C | 4 |
| N | 1 |
| H | 7 |
EVODEX.1-M68 - Mass Difference
101.04771
EVODEX.1-E825 - Reaction Operator E
[#6:16]-[#8:17]-[H]>>[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[#8:17]-[#6:16])(-[H])-[H]
EVODEX.1-C402 - Reaction Operator C
[H]-[#8:17]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8:17]
EVODEX.1-N483 - Reaction Operator N
[H]-[#8:17]-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8:17]-[#6:16]
Source Full Reactions
EVODEX.1-R3389
[H][O:17][C:16]([C:15]([C:14]([C:13]([C:12]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20].[C:1]([C:2](=[O:3])[O:4][C:5]([C:6]([C@:7]([N:8]([H:30])[H:31])([C:9](=[O:10])[O:11][H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40]>>[C:5]([C:6]([C@:7]([N:8]([H:30])[H:31])([C:9](=[O:10])[O:11][H:32])[H:33])([H:34])[H:35])([O:17][C:16]([C:15]([C:14]([C:13]([C:12]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:36])[H:37].[H][O:4][C:2]([C:1]([H:38])([H:39])[H:40])=[O:3]