SMIRKS
[H]C([H])([H])O[C:3](=[O:4])[C:5]([C:6]([N:7]([H:23])[H:24])([H:25])[H:26])([H:27])[H:28].[H][N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:32]):[N:13]([H:33]):[C:14]2:[C:15]([H:34]):[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]:1:2)([H:38])[H:39])([C:20](=[O:21])[O:22][H:40])[H:41])[H:42]>>[C:3](=[O:4])([C:5]([C:6]([N:7]([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:32]):[N:13]([H:33]):[C:14]2:[C:15]([H:34]):[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]:1:2)([H:38])[H:39])([C:20](=[O:21])[O:22][H:40])[H:41])[H:42]
Derived Operators
EVODEX.1-F406 - Elemental Balance
| O | -1 |
| C | -1 |
| H | -4 |
EVODEX.1-M158 - Mass Difference
-32.02622
EVODEX.1-E1211 - Reaction Operator E
[#6](-[#8]-[#6:16](=[#8:17])-[#6@:18])(-[H])(-[H])-[H].[#6:12]-[#7:13](-[H:42])-[H]>>[#6:12]-[#7:13](-[#6:16](=[#8:17])-[#6@:18])-[H:42]
EVODEX.1-N92 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#8]-[#6:3](=[#8:4])-[#6@:5].[H]-[#7:28](-[#6@:27])-[H:61]>>[#6:3](=[#8:4])(-[#6@:5])-[#7:28](-[#6@:27])-[H:61]
EVODEX.1-Em49 - Reaction Operator Em
[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#7:23]-[#6:24]>>[#6:4](=[#8:5])(-[#6:6])-[#7:23]-[#6:24]
EVODEX.1-Nm58 - Reaction Operator Nm
[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#7:23]-[#6:24]>>[#6:4](=[#8:5])(-[#6:6])-[#7:23]-[#6:24]
Source Full Reactions
EVODEX.1-R4903
[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([N:7]([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31].[H][N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:32]):[N:13]([H:33]):[C:14]2:[C:15]([H:34]):[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]:1:2)([H:38])[H:39])([C:20](=[O:21])[O:22][H:40])[H:41])[H:42]>>[C:3](=[O:4])([C:5]([C:6]([N:7]([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:32]):[N:13]([H:33]):[C:14]2:[C:15]([H:34]):[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]:1:2)([H:38])[H:39])([C:20](=[O:21])[O:22][H:40])[H:41])[H:42].[H][O:2][C:1]([H:29])([H:30])[H:31]