Citric Acid → 5-Isopropyl-pyridine-2-sulfonic acid [6-(4-hydroxy-but-2-ynyloxy)-5-(2-methoxy-phenoxy)-2-pyridin-4-yl-pyrimidin-4-yl]-amide
Reaction equation
[CH2:1]([C:2]#[C:3][CH2:4][OH:5])[OH:6].[CH3:62][N:63]1[CH2:64][CH2:65][CH2:66][N:67]([CH3:68])[C:69]1=[O:70].[CH:9]([CH3:10])([CH3:11])[c:12]1[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[NH:21][c:22]2[n:23][c:24](-[c:38]3[cH:39][cH:40][n:41][cH:42][cH:43]3)[n:25][c:26]([Cl:37])[c:27]2[O:28][c:29]2[c:30]([O:35][CH3:36])[cH:31][cH:32][cH:33][cH:34]2)[n:16][cH:17]1.[H-:7].[Na+:8].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH:44][C:45]([CH2:46][C:47]([C:48](=[O:49])[OH:50])([CH2:51][C:52](=[O:53])[OH:54])[OH:55])=[O:56]>>[CH2:1]([C:2]#[C:3][CH2:4][O:5][c:26]1[n:25][c:24](-[c:38]2[cH:39][cH:40][n:41][cH:42][cH:43]2)[n:23][c:22]([NH:21][S:18]([c:15]2[cH:14][cH:13][c:12]([CH:9]([CH3:10])[CH3:11])[cH:17][n:16]2)(=[O:19])=[O:20])[c:27]1[O:28][c:29]1[c:30]([O:35][CH3:36])[cH:31][cH:32][cH:33][cH:34]1)[OH:6]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-e52fde4fc9fc441ea31b28ec77bb878a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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