SMIRKS
[H][C:2]([N:1]([H:22])[H:23])([C:3](=[O:4])[O:5][H:19])[H:20].[H]OC(=O)C(=O)[C:11]([C:12]1:[C:13]([H:25]):[C:14]([H:26]):[C:15]([O:16][H:27]):[C:17]([H:28]):[C:18]:1[H:29])([H:30])[H:31]>>[N:1]([C@:2]([C:3](=[O:4])[O:5][H:19])([C:11]([C:12]1:[C:13]([H:25]):[C:14]([H:26]):[C:15]([O:16][H:27]):[C:17]([H:28]):[C:18]:1[H:29])([H:30])[H:31])[H:20])([H:22])[H:23]
Derived Operators
EVODEX.1-F97 - Elemental Balance
| C | -2 |
| O | -3 |
| H | -2 |
EVODEX.1-M109 - Mass Difference
-74.00036
EVODEX.1-E683 - Reaction Operator E
[#7:1]-[#6:2](-[#6:3])(-[H:20])-[H].[#8]=[#6](-[#8]-[H])-[#6](=[#8])-[#6:11](-[#6:12])(-[H:30])-[H:31]>>[#7:1]-[#6@:2](-[#6:3])(-[#6:11](-[#6:12])(-[H:30])-[H:31])-[H:20]
EVODEX.1-C463 - Reaction Operator C
[H]-[#6:2].[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6:11]>>[#6:11]-[#6@:2]
EVODEX.1-N563 - Reaction Operator N
[H]-[#6:2](-[#7:1])(-[#6:3])-[H:20].[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6:11](-[#6:12])(-[H:30])-[H:31]>>[#7:1]-[#6@:2](-[#6:3])(-[#6:11](-[#6:12])(-[H:30])-[H:31])-[H:20]
EVODEX.1-Em554 - Reaction Operator Em
[H]-[#6:2](-[#7:1])-[#6:3].[#6](=[#8])-[#6](=[#8])-[#6:11]-[#6:12]>>[#7:1]-[#6:2](-[#6:3])-[#6:11]-[#6:12]
EVODEX.1-Nm500 - Reaction Operator Nm
[H]-[#6:2](-[#7:1])-[#6:3].[#6]-[#6](=[#8])-[#6:11]-[#6:12]>>[#7:1]-[#6:2](-[#6:3])-[#6:11]-[#6:12]
Source Full Reactions
EVODEX.1-R3818
[H][C:2]([N:1]([H:22])[H:23])([C:3](=[O:4])[O:5][H:19])[H:20].[O:6]=[C:7]([O:8][H:24])[C:9](=[O:10])[C:11]([C:12]1:[C:13]([H:25]):[C:14]([H:26]):[C:15]([O:16][H:27]):[C:17]([H:28]):[C:18]:1[H:29])([H:30])[H:31]>>[N:1]([C@:2]([C:3](=[O:4])[O:5][H:19])([C:11]([C:12]1:[C:13]([H:25]):[C:14]([H:26]):[C:15]([O:16][H:27]):[C:17]([H:28]):[C:18]:1[H:29])([H:30])[H:31])[H:20])([H:22])[H:23].[H][C:9]([C:7](=[O:6])[O:8][H:24])=[O:10]