Acetate → HCID 86626770, compound
Reaction equation
[CH3:44][C:45]([O-:46])=[O:47].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][S:56]([CH3:57])=[O:58].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH2:8][c:9]2[c:10]([N:19]([CH2:20][CH2:21][CH3:22])[CH2:23][CH:24]3[CH2:25][CH2:26]3)[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[c:27]2[n:28][cH:29][c:30]([Br:33])[cH:31][n:32]2)[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42].[K+:43].[OH2:48]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH2:8][c:9]2[c:10]([N:19]([CH2:20][CH2:21][CH3:22])[CH2:23][CH:24]3[CH2:25][CH2:26]3)[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[c:27]2[n:28][cH:29][c:30]([OH:46])[cH:31][n:32]2)[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42]Participants
7
Sources & evidence
- ORD record
- ord-f855529deb85438bbf26fea7177860e4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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