Citric Acid → 4-tert-Butyl-N-[6-(4-hydroxy-but-2-ynyloxy)-5-(2-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidin-4-yl]-benzenesulfonamide
Reaction equation
[C:9]([CH3:10])([CH3:11])([CH3:12])[c:13]1[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH:22][c:23]2[n:24][c:25]([N:39]3[CH2:40][CH2:41][O:42][CH2:43][CH2:44]3)[n:26][c:27]([Cl:38])[c:28]2[O:29][c:30]2[c:31]([O:36][CH3:37])[cH:32][cH:33][cH:34][cH:35]2)[cH:17][cH:18]1.[CH2:3]([C:4]#[C:5][CH2:6][OH:7])[OH:8].[CH3:63][N:64]1[CH2:65][CH2:66][CH2:67][N:68]([CH3:69])[C:70]1=[O:71].[H-:2].[Na+:1].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57]>>[CH2:3]([C:4]#[C:5][CH2:6][O:7][c:27]1[n:26][c:25]([N:39]2[CH2:40][CH2:41][O:42][CH2:43][CH2:44]2)[n:24][c:23]([NH:22][S:19]([c:16]2[cH:15][cH:14][c:13]([C:9]([CH3:10])([CH3:11])[CH3:12])[cH:18][cH:17]2)(=[O:20])=[O:21])[c:28]1[O:29][c:30]1[c:31]([O:36][CH3:37])[cH:32][cH:33][cH:34][cH:35]1)[OH:8]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-9391cd79990a46828cc5428c86b00c88
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…