SMIRKS
[H][C@:2]([N:1]([H:37])[H:38])([C:3]([C@:4]1([C:5](=[O:6])[O:7][H:26])[C:8]([H:27])=[C:9]([H:28])[C@:10]([O:11][H:29])([H:30])[C:12]([H:31])=[C:13]1[H:32])([H:33])[H:34])[C:14](=[O:15])[O:16][H:35]>>O=[C:2]([C:3]([C@:4]1([C:5](=[O:6])[O:7][H:26])[C:8]([H:27])=[C:9]([H:28])[C@:10]([O:11][H:29])([H:30])[C:12]([H:31])=[C:13]1[H:32])([H:33])[H:34])[C:14](=[O:15])[O:16][H:35].[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([H:37])[H:38]
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-R3850
[H][C@:2]([N:1]([H:37])[H:38])([C:3]([C@:4]1([C:5](=[O:6])[O:7][H:26])[C:8]([H:27])=[C:9]([H:28])[C@:10]([O:11][H:29])([H:30])[C:12]([H:31])=[C:13]1[H:32])([H:33])[H:34])[C:14](=[O:15])[O:16][H:35].[O:17]=[C:18]([O:19][H:39])[C:20]([C:21](=[O:22])[C:23](=[O:24])[O:25][H:40])([H:41])[H:42]>>[C:2]([C:3]([C@:4]1([C:5](=[O:6])[O:7][H:26])[C:8]([H:27])=[C:9]([H:28])[C@:10]([O:11][H:29])([H:30])[C:12]([H:31])=[C:13]1[H:32])([H:33])[H:34])([C:14](=[O:15])[O:16][H:35])=[O:22].[H][C@:21]([N:1]([H:37])[H:38])([C:20]([C:18](=[O:17])[O:19][H:39])([H:41])[H:42])[C:23](=[O:24])[O:25][H:40]