SMIRKS
O=[C:5]([C@:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([C:4]([H:20])([H:21])[H:22])[H:24])[C:7](=[O:8])[O:9][H:23].[H]OC(=O)[C@]([H])(C([H])([H])C([H])([H])C(=O)N([H])[H])[N:16]([H:30])[H:31]>>[H][C@:5]([C@:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([C:4]([H:20])([H:21])[H:22])[H:24])([C:7](=[O:8])[O:9][H:23])[N:16]([H:30])[H:31]
Derived Operators
EVODEX.1-F242 - Elemental Balance
| O | -4 |
| C | -5 |
| N | -1 |
| H | -7 |
EVODEX.1-M299 - Mass Difference
-145.03751
EVODEX.1-E966 - Reaction Operator E
[#6:4]-[#6:5](=[#8])-[#6:7]=[#8:8].[#7](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7:19](-[H:34])-[H:35])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:4]-[#6:5](-[#6:7]=[#8:8])(-[#7:19](-[H:34])-[H:35])-[H]
EVODEX.1-C433 - Reaction Operator C
[#8]=[#6:5].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])-[#7:16]>>[H]-[#6@:5]-[#7:16]
EVODEX.1-N525 - Reaction Operator N
[#8]=[#6:5](-[#6@:3])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])-[#7:16](-[H:30])-[H:31]>>[H]-[#6@:5](-[#6@:3])(-[#6:7])-[#7:16](-[H:30])-[H:31]
EVODEX.1-Em19 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]=[#8:18]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]=[#8:18]
EVODEX.1-Nm15 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]
Source Full Reactions
EVODEX.1-R3803
[C:1]([C:2]([C@:3]([C:4]([H:20])([H:21])[H:22])([C:5](=[O:6])[C:7](=[O:8])[O:9][H:23])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29].[H][C@@:15]([C:14]([C:13]([C:11]([N:10]([H:38])[H:39])=[O:12])([H:36])[H:37])([H:34])[H:35])([N:16]([H:30])[H:31])[C:17](=[O:18])[O:19][H:32]>>[H][C@:5]([C@:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([C:4]([H:20])([H:21])[H:22])[H:24])([C:7](=[O:8])[O:9][H:23])[N:16]([H:30])[H:31].[O:6]=[C:15]([C:14]([C:13]([C:11]([N:10]([H:38])[H:39])=[O:12])([H:36])[H:37])([H:34])[H:35])[C:17](=[O:18])[O:19][H:32]