Acetone → 2-(3,5-Di-tert.-butyl-4-hydroxybenzylidene)-3,4-dihydro-3-oxo-4-sulfomethyl-2H-1,4-benzothiazine
Reaction equation
[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][c:9]([CH:10]=[C:11]2[S:12][c:13]3[c:14]([cH:18][cH:19][cH:20][cH:21]3)[NH:15][C:16]2=[O:17])[cH:22][c:23]([C:26]([CH3:27])([CH3:28])[CH3:29])[c:24]1[OH:25].[CH3:38][C:39]([CH3:40])=[O:41].[Cl:30][CH2:31][S:32](=[O:33])(=[O:34])[O-:35].[ClH:37].[H-:1].[K+:36].[Na+:2]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][c:9]([CH:10]=[C:11]2[S:12][c:13]3[c:14]([cH:18][cH:19][cH:20][cH:21]3)[N:15]([CH2:31][S:32](=[O:33])(=[O:34])[OH:35])[C:16]2=[O:17])[cH:22][c:23]([C:26]([CH3:27])([CH3:28])[CH3:29])[c:24]1[OH:25]Participants
8
Sources & evidence
- ORD record
- ord-c8cd8f878e0c422e9191632d55a65b26
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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