Acetate → HCID 173031308, compound
Reaction equation
[C:35]([O-:36])(=[O:37])[CH3:38].[CH3:40][CH2:41][OH:42].[ClH:29].[NH2:30][OH:31].[Na+:39].[OH2:32].[OH2:33].[OH2:34].[OH2:43].[c:1]1([C:7](=[O:8])[c:9]2[cH:10][n:11][c:12]3[c:13]([C:25]([F:26])([F:27])[F:28])[cH:14][cH:15][cH:16][c:17]3[c:18]2-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]([c:9]2[cH:10][n:11][c:12]3[c:13]([C:25]([F:26])([F:27])[F:28])[cH:14][cH:15][cH:16][c:17]3[c:18]2-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[N:30][OH:31])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
8
Sources & evidence
- ORD record
- ord-63db185b219a4502b291f0d93de8a3ce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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