Acetic Acid → HCID 86649778, compound
Reaction equation
[C:36]([OH:37])(=[O:38])[CH3:39].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:29][CH:30]([N-:31][CH:32]([CH3:33])[CH3:34])[CH3:35].[Cl:1][c:2]1[n:3][c:4](-[n:9]2[c:10]([CH:18]([F:19])[F:20])[n:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[n:5][c:6]([Cl:8])[cH:7]1.[Li+:28].[NH2:21][c:22]1[cH:23][n:24][cH:25][cH:26][cH:27]1.[OH2:45]>>[c:2]1([NH:21][c:22]2[cH:23][n:24][cH:25][cH:26][cH:27]2)[n:3][c:4](-[n:9]2[c:10]([CH:18]([F:19])[F:20])[n:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[n:5][c:6]([Cl:8])[cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-50ef55d2104b4198aff829e570455af7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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