SMIRKS
[H][C@:2]([N:1]([H:28])[H:29])([C:3]([C:4]([O:5][H:21])([C:6](=[O:7])[O:8][H:22])[H:23])([H:24])[H:25])[C:9](=[O:10])[O:11][H:26]>>O=[C:2]([C:3]([C:4]([O:5][H:21])([C:6](=[O:7])[O:8][H:22])[H:23])([H:24])[H:25])[C:9](=[O:10])[O:11][H:26].[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([H:28])[H:29]
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-R3617
[H][C@:2]([N:1]([H:28])[H:29])([C:3]([C:4]([O:5][H:21])([C:6](=[O:7])[O:8][H:22])[H:23])([H:24])[H:25])[C:9](=[O:10])[O:11][H:26].[O:12]=[C:13]([O:14][H:30])[C:15]([C:16](=[O:17])[C:18](=[O:19])[O:20][H:31])([H:32])[H:33]>>[C:2]([C:3]([C:4]([O:5][H:21])([C:6](=[O:7])[O:8][H:22])[H:23])([H:24])[H:25])([C:9](=[O:10])[O:11][H:26])=[O:17].[H][C@:16]([N:1]([H:28])[H:29])([C:15]([C:13](=[O:12])[O:14][H:30])([H:32])[H:33])[C:18](=[O:19])[O:20][H:31]