Citric Acid → 4-tert.-butyl-N-[6-(4-phenoxy-2-butynyloxy)-5-(p-tolyl)4-pyrimidinyl]-benzene sulfonamide
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([Cl:28])[c:20]2-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:9][cH:10]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[H-:52].[Na+:51].[O:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH2:36][C:37]#[C:38][CH2:39][OH:40].[OH:58][C:59]([CH2:60][C:61]([C:62](=[O:63])[OH:64])([CH2:65][C:66](=[O:67])[OH:68])[OH:69])=[O:70].[c:41]1([O:42][CH2:43][C:44]#[CH:45])[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:40][CH2:39][C:38]#[C:37][CH2:36][O:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:20]2-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:9][cH:10]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-285d3729829b441a9d9850304aaba02b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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