Acetate → HCID 86626913, compound
Reaction equation
[CH3:47][C:48](=[O:49])[O-:50].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][S:59]([CH3:60])=[O:61].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH2:8][c:9]2[c:10](-[c:19]3[c:20]([O:28][CH3:29])[cH:21][cH:22][c:23]([CH:25]([CH3:26])[CH3:27])[cH:24]3)[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[c:30]2[n:31][cH:32][c:33]([Br:36])[cH:34][cH:35]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45].[K+:46].[OH2:51]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH2:8][c:9]2[c:10](-[c:19]3[c:20]([O:28][CH3:29])[cH:21][cH:22][c:23]([CH:25]([CH3:26])[CH3:27])[cH:24]3)[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[c:30]2[n:31][cH:32][c:33]([OH:51])[cH:34][cH:35]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45]Participants
7
Sources & evidence
- ORD record
- ord-fff1e473f0f24d7aad560c153b6e293d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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