Citric Acid → 4-tert.-butyl-N-[6-(4-(5-bromo-2-pyrimidinyloxy)-2-butynyloxy)-5-(2-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidin-4-yl]-benzene sulfonamide
Reaction equation
[Br:44][c:45]1[cH:46][n:47][c:48]([Cl:51])[n:49][cH:50]1.[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]2[n:18][c:19]([N:38]3[CH2:39][CH2:40][O:41][CH2:42][CH2:43]3)[n:20][c:21]([O:32][CH2:33][C:34]#[C:35][CH2:36][OH:37])[c:22]2[O:23][c:24]2[c:25]([O:30][CH3:31])[cH:26][cH:27][cH:28][cH:29]2)[cH:11][cH:12]1.[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[H-:2].[Na+:1].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH:62][C:63]([CH2:64][C:65]([C:66](=[O:67])[OH:68])([CH2:69][C:70](=[O:71])[OH:72])[OH:73])=[O:74]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]2[n:18][c:19]([N:38]3[CH2:39][CH2:40][O:41][CH2:42][CH2:43]3)[n:20][c:21]([O:32][CH2:33][C:34]#[C:35][CH2:36][O:37][c:48]3[n:47][cH:46][c:45]([Br:44])[cH:50][n:49]3)[c:22]2[O:23][c:24]2[c:25]([O:30][CH3:31])[cH:26][cH:27][cH:28][cH:29]2)[cH:11][cH:12]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-f7171c7762d248aab80ac41cb877e40b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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