Citric Acid → Benzylsulfamic acid [6-chloro-5-(2-methoxy-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-amide
Reaction equation
[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[NH:28][S:29]([NH2:30])(=[O:31])=[O:32].[CH3:46][S:47]([CH3:48])=[O:49].[Cl:1][c:2]1[n:3][c:4]([S:18][CH3:19])[n:5][c:6]([Cl:17])[c:7]1[O:8][c:9]1[c:10]([O:15][CH3:16])[cH:11][cH:12][cH:13][cH:14]1.[K:20].[OH:33][C:34]([CH2:35][C:36]([C:37](=[O:38])[OH:39])([CH2:40][C:41](=[O:42])[OH:43])[OH:44])=[O:45]>>[c:2]1([NH:30][S:29]([NH:28][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)(=[O:31])=[O:32])[n:3][c:4]([S:18][CH3:19])[n:5][c:6]([Cl:17])[c:7]1[O:8][c:9]1[c:10]([O:15][CH3:16])[cH:11][cH:12][cH:13][cH:14]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-03283fea30ce402c91e298fce5876ff3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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