SMIRKS
[H]N([H])[C@:2]([H])([C:1]([H:28])([H:29])[H:30])[C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]:1[H:26].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:16]>>[C:1]([C:2]([C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]:1[H:26])=[O:16])([H:28])([H:29])[H:30]
Derived Operators
EVODEX.1-F279 - Elemental Balance
| O | -4 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M36 - Mass Difference
-147.05317
EVODEX.1-E1035 - Reaction Operator E
[#7](-[#6@:39](-[#6@@:5])(-[#6@:37])-[H])(-[H])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8:47])-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H]>>[#6:39](-[#6@@:5])(-[#6@:37])=[#8:47]
EVODEX.1-C84 - Reaction Operator C
[H]-[#7](-[H])-[#6:13]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:23]>>[#6:13]=[#8:23]
EVODEX.1-N90 - Reaction Operator N
[H]-[#7](-[H])-[#6@:2](-[H])(-[#6:1])-[#6:4].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:16]>>[#6:1]-[#6:2](-[#6:4])=[#8:16]
EVODEX.1-Em109 - Reaction Operator Em
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6](=[#8])-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3753
[H][C@:2]([C:1]([H:28])([H:29])[H:30])([N:3]([H:20])[H:21])[C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]:1[H:26].[O:10]=[C:11]([O:12][H:31])[C:13]([C:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][H:32])([H:33])[H:34])([H:35])[H:36]>>[C:1]([C:2]([C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]:1[H:26])=[O:16])([H:28])([H:29])[H:30].[H][C@:15]([N:3]([H:20])[H:21])([C:14]([C:13]([C:11](=[O:10])[O:12][H:31])([H:35])[H:36])([H:33])[H:34])[C:17](=[O:18])[O:19][H:32]