Acetate → HCID 178493166, compound
Reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH3:16][C:17](=[O:18])[O-:19].[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[c:7]([F:13])[cH:8][c:9]([Br:12])[cH:10][cH:11]1)[CH3:14].[CH3:20][O:21][c:22]1[cH:23][c:24]([CH2:28][CH2:29][c:30]2[n:31][c:32]3[c:33]([n:34][cH:35][c:36]([I:38])[cH:37]3)[nH:39]2)[n:25][cH:26][cH:27]1.[Cl-:47].[K+:15].[K+:44].[K+:45].[Li+:46].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:54]>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[c:7]([F:13])[cH:8][c:9](-[c:36]2[cH:35][n:34][c:33]3[c:32]([n:31][c:30]([CH2:29][CH2:28][c:24]4[cH:23][c:22]([O:21][CH3:20])[cH:27][cH:26][n:25]4)[nH:39]3)[cH:37]2)[cH:10][cH:11]1)[CH3:14]Participants
10
Sources & evidence
- ORD record
- ord-fa2be7b67cb5468cb141a69601dc3daf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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