Acetate → HCID 25070331, compound
Reaction equation
[CH3:43][C:44](=[O:45])[O-:46].[CH3:50][OH:51].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:19][NH:20][c:21]3[n:22][c:23]([N:28]=[C:29]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[n:24][cH:25][c:26]3[F:27])[c:9](-[c:12]3[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]3)[n:10][c:11]12.[ClH:47].[NH2:48][OH:49].[Na+:42]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:19][NH:20][c:21]3[n:22][c:23]([NH2:28])[n:24][cH:25][c:26]3[F:27])[c:9](-[c:12]3[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]3)[n:10][c:11]12Participants
7
Sources & evidence
- ORD record
- ord-f2f9259afb954b329a63af8b6f9e64d8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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