Citric Acid → Benzylsulfamic acid [6-chloro-2-(2-cyano-pyridin-4-yl)-5-(2-methoxy-phenoxy) pyrimidin-4-yl]-amide
Reaction equation
[CH2:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH:31]([CH3:32])[CH3:33])[CH3:34].[CH2:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[NH:43][S:44]([NH2:45])(=[O:46])=[O:47].[CH3:61][S:62]([CH3:63])=[O:64].[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:35].[OH:48][C:49]([CH2:50][C:51]([C:52](=[O:53])[OH:54])([CH2:55][C:56](=[O:57])[OH:58])[OH:59])=[O:60]>>[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:45][S:44]([NH:43][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)(=[O:46])=[O:47])[c:7]1[O:8][c:9]1[c:10]([O:15][CH3:16])[cH:11][cH:12][cH:13][cH:14]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-eb8fa7acf76f40758754fc9326a9a5d4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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