Citric Acid → 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone
Reaction equation
[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[K+:52].[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([NH:11][C:12](=[O:13])[C:14]2=[C:15]([OH:31])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[C:22]([CH2:25][CH2:26][CH3:27])([CH2:28][CH2:29][CH3:30])[C:23]2=[O:24])[cH:7][cH:8][cH:9][cH:10]1.[OH-:51].[OH:32][C:33]([CH2:34][C:35]([C:36](=[O:37])[OH:38])([CH2:39][C:40](=[O:41])[OH:42])[OH:43])=[O:44]>>[N:1]1=[C:12]([C:14]2=[C:15]([OH:31])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[C:22]([CH2:25][CH2:26][CH3:27])([CH2:28][CH2:29][CH3:30])[C:23]2=[O:24])[NH:11][c:6]2[c:5]([cH:10][cH:9][cH:8][cH:7]2)[S:2]1(=[O:3])=[O:4]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-b514f32201234b5da9115ae6252a3ed4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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