Acetic Acid → HCID 23448735, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7][c:8]([CH:10]2[O:11][CH:12]([n:20]3[c:21]4[n:22][cH:23][n:24][c:25]([Cl:29])[c:26]4[n:27][cH:28]3)[CH:13]3[CH:14]2[O:15][C:16]([CH3:18])([CH3:19])[O:17]3)[o:9]1.[C:30](=[O:31])([O-:32])[O-:33].[CH3:35][C:36](=[O:37])[OH:38].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Ca+2:34].[Cl:39][c:40]1[cH:41][c:42]([F:47])[c:43]([NH2:44])[cH:45][cH:46]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7][c:8]([CH:10]2[O:11][CH:12]([n:20]3[c:21]4[n:22][cH:23][n:24][c:25]([NH:44][c:43]5[c:42]([F:47])[cH:41][c:40]([Cl:39])[cH:46][cH:45]5)[c:26]4[n:27][cH:28]3)[CH:13]3[CH:14]2[O:15][C:16]([CH3:18])([CH3:19])[O:17]3)[o:9]1Participants
7
Sources & evidence
- ORD record
- ord-06d919eb720345efa7791bc17fe8cbf4
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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