Acetate → HCID 57647133, compound
Reaction equation
[C:27]([O-:28])(=[O:29])[CH3:30].[C:32]([O:33][O-:34])(=[O:35])[c:36]1[c:37]([C:42]([O-:43])=[O:44])[cH:38][cH:39][cH:40][cH:41]1.[CH3:1][S:2](=[O:3])[c:4]1[n:5][n:6][c:7]([N:10]2[CH2:11][CH2:12][CH:13]([O:16][c:17]3[c:18]([C:23]([F:24])([F:25])[F:26])[cH:19][cH:20][cH:21][cH:22]3)[CH2:14][CH2:15]2)[cH:8][cH:9]1.[CH3:49][C:50]([O:51][C:52]([CH3:53])=[O:54])=[O:55].[Mg+2:45].[NH3:48].[Na+:31].[Na+:47].[OH-:46].[OH2:56]>>[S:2](=[O:3])([c:4]1[n:5][n:6][c:7]([N:10]2[CH2:11][CH2:12][CH:13]([O:16][c:17]3[c:18]([C:23]([F:24])([F:25])[F:26])[cH:19][cH:20][cH:21][cH:22]3)[CH2:14][CH2:15]2)[cH:8][cH:9]1)(=[O:46])[NH2:48]Participants
10
Sources & evidence
- ORD record
- ord-a49c62cea9e5446eb4964b118abc3d9e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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