SMIRKS
[H]OC([H])([H])C(=O)C([H])(O[H])[C:14]([C@@:2]([C:1]([H:38])([H:39])[H:40])([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]1:[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]([H:25]):[C:13]:1[H:26])([H:27])[H:28])[H:29])[H:37])([O:15][H])[H:36]>>[C:1]([C@@:2]([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]1:[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]([H:25]):[C:13]:1[H:26])([H:27])[H:28])[H:29])([C:14](=[O:15])[H:36])[H:37])([H:38])([H:39])[H:40]
Derived Operators
EVODEX.1-F53 - Elemental Balance
| O | -3 |
| C | -3 |
| H | -6 |
EVODEX.1-M212 - Mass Difference
-90.03168000000001
EVODEX.1-E575 - Reaction Operator E
[#6:4]-[#6:5](-[#8:6]-[H])(-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#6](-[#8]-[H])(-[H])-[H])-[H])-[H:19]>>[#6:4]-[#6:5](=[#8:6])-[H:19]
EVODEX.1-C270 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@](-[H])(-[#8]-[H])-[#6:5]-[#8:6]-[H]>>[#6:5]=[#8:6]
EVODEX.1-N297 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@](-[H])(-[#8]-[H])-[#6:5](-[#6:4])(-[#8:6]-[H])-[H:19]>>[#6:4]-[#6:5](=[#8:6])-[H:19]
EVODEX.1-Em87 - Reaction Operator Em
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
EVODEX.1-Nm123 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
Source Full Reactions
EVODEX.1-R6857
[H][O:15][C:14]([C@@:2]([C:1]([H:38])([H:39])[H:40])([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]1:[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]([H:25]):[C:13]:1[H:26])([H:27])[H:28])[H:29])[H:37])([C:16]([O:17][H:31])([C:18](=[O:19])[C:20]([O:21][H:32])([H:33])[H:34])[H:35])[H:36]>>[H][C:16]([O:17][H:31])([C:18](=[O:19])[C:20]([O:21][H:32])([H:33])[H:34])[H:35].[C:1]([C@@:2]([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]1:[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]([H:25]):[C:13]:1[H:26])([H:27])[H:28])[H:29])([C:14](=[O:15])[H:36])[H:37])([H:38])([H:39])[H:40]