SMIRKS
[H][C@@:5]([C@:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([C:4]([H:19])([H:20])[H:21])[H:26])([N:6]([H:22])[H:23])[C:7](=[O:8])[O:9][H:24]>>O=[C:5]([C@:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([C:4]([H:19])([H:20])[H:21])[H:26])[C:7](=[O:8])[O:9][H:24].[H]OC(=O)C([H])([H])C([H])(C(=O)O[H])[N:6]([H:22])[H:23]
Derived Operators
EVODEX.1-F299 - Elemental Balance
| O | 5 |
| C | 4 |
| H | 4 |
EVODEX.1-M322 - Mass Difference
132.00582
EVODEX.1-E1067 - Reaction Operator E
[#7:1](-[#6@@:2](-[#6:3])(-[#6:14]=[#8:15])-[H])(-[H:37])-[H:38]>>[#6:2](-[#6:3])(-[#6:14]=[#8:15])=[#8].[#7:1](-[#6@@](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:37])-[H:38]
EVODEX.1-C446 - Reaction Operator C
[H]-[#6@:2]-[#7:1]>>[#8]=[#6:2].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1]
EVODEX.1-N543 - Reaction Operator N
[H]-[#6@:2](-[#7:1](-[H:37])-[H:38])(-[#6:3])-[#6:14]>>[#8]=[#6:2](-[#6:3])-[#6:14].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[H:37])-[H:38]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3682
[H][C@@:5]([C@:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([C:4]([H:19])([H:20])[H:21])[H:26])([N:6]([H:22])[H:23])[C:7](=[O:8])[O:9][H:24].[O:10]=[C:11]([O:12][H:32])[C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:33])([H:34])[H:35]>>[C:1]([C:2]([C@:3]([C:4]([H:19])([H:20])[H:21])([C:5]([C:7](=[O:8])[O:9][H:24])=[O:15])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31].[H][C:14]([N:6]([H:22])[H:23])([C:13]([C:11](=[O:10])[O:12][H:32])([H:34])[H:35])[C:16](=[O:17])[O:18][H:33]