Citric Acid → Benzylsulfamic acid [6-chloro-2-(2-cyano-pyridin-4-yl)-5-(2-methoxy-phenoxy) pyrimidin-4-yl]-amide
Reaction equation
[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[NH:34][S:35]([NH2:36])(=[O:37])=[O:38].[CH3:52][S:53]([CH3:54])=[O:55].[Cl:1][c:2]1[n:3][c:4](-[c:18]2[cH:19][c:20]([C:24]#[N:25])[n:21][cH:22][cH:23]2)[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:26].[OH:39][C:40]([CH2:41][C:42]([C:43](=[O:44])[OH:45])([CH2:46][C:47](=[O:48])[OH:49])[OH:50])=[O:51]>>[Cl:1][c:2]1[n:3][c:4](-[c:18]2[cH:19][c:20]([C:24]#[N:25])[n:21][cH:22][cH:23]2)[n:5][c:6]([NH:36][S:35]([NH:34][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)(=[O:37])=[O:38])[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-1e2f463f59304b149f0abdce56fc451d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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