SMIRKS
[H]O[C:3]([C:2]([C:1]([H:17])([H:18])[H:19])([H:15])[H:16])=[O:4].[H][N:6]([C:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]:1[H:24])([H:25])[H:26])[H:27]>>[C:1]([C:2]([C:3](=[O:4])[N:6]([C:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]:1[H:24])([H:25])[H:26])[H:27])([H:15])[H:16])([H:17])([H:18])[H:19]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E488 - Reaction Operator E
[#7:121](-[#6@@:120])(-[H:267])-[H].[#8:195]=[#6:196](-[#8]-[H])-[#6:198]>>[#7:121](-[#6@@:120])(-[#6:196](=[#8:195])-[#6:198])-[H:267]
EVODEX.1-N8 - Reaction Operator N
[H]-[#7:1](-[#6:2])-[H:60].[H]-[#8]-[#6:16](-[#6@@:13])=[#8:17]>>[#7:1](-[#6:2])(-[#6:16](-[#6@@:13])=[#8:17])-[H:60]
EVODEX.1-Em33 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[H]-[#7:47]-[#6:46]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46]
EVODEX.1-Nm34 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[H]-[#7:47]-[#6:46]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46]
Source Full Reactions
EVODEX.1-R6507
[C:1]([C:2]([C:3](=[O:4])[O:5][H:14])([H:15])[H:16])([H:17])([H:18])[H:19].[H][N:6]([C:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]:1[H:24])([H:25])[H:26])[H:27]>>[C:1]([C:2]([C:3](=[O:4])[N:6]([C:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]:1[H:24])([H:25])[H:26])[H:27])([H:15])[H:16])([H:17])([H:18])[H:19].[H][O:5][H:14]