SMIRKS
[H][C:2]([N:1]([H:28])[H:29])([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])[H:26]>>O=[C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])[H:26].[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([H:28])[H:29]
Derived Operators
EVODEX.1-F60 - Elemental Balance
| O | 5 |
| C | 5 |
| H | 6 |
EVODEX.1-M58 - Mass Difference
146.02147999999997
EVODEX.1-E595 - Reaction Operator E
[#6:20](-[#6@@:19])(-[#7:21](-[H:61])-[H:62])(-[H:63])-[H]>>[#6:20](-[#6@@:19])(=[#8])-[H:63].[#7:21](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:61])-[H:62]
EVODEX.1-C65 - Reaction Operator C
[H]-[#6@@:39]-[#7:40]>>[#8]=[#6:39].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:40]
EVODEX.1-N511 - Reaction Operator N
[H]-[#6:2](-[#7:1](-[H:46])-[H:47])(-[#6:3])-[H:44]>>[#8]=[#6:2](-[#6:3])-[H:44].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[H:46])-[H:47]
EVODEX.1-Em108 - Reaction Operator Em
[H]-[#6:8](-[#7:7])-[#6:9]>>[#6]-[#6](-[H])(-[#6])-[#7:7].[#8]=[#6:8]-[#6:9]
EVODEX.1-Nm141 - Reaction Operator Nm
[H]-[#6:8](-[#7:7])-[#6:9]>>[#6]-[#6](-[H])(-[#6])-[#7:7].[#8]=[#6:8]-[#6:9]
Source Full Reactions
EVODEX.1-R3544
[H][C:2]([N:1]([H:28])[H:29])([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])[H:26].[O:9]=[C:10]([O:11][H:30])[C:12]([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:31])([H:32])[H:33])([H:34])[H:35]>>[C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])(=[O:15])[H:26].[H][C@:14]([N:1]([H:28])[H:29])([C:13]([C:12]([C:10](=[O:9])[O:11][H:30])([H:34])[H:35])([H:32])[H:33])[C:16](=[O:17])[O:18][H:31]