Acetonitrile → 4-(tert-butyl)-N-[3-(2-{[5-(2-furyl)-2-pyrimidinyl]oxy}ethoxy)-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
Reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([O:8][CH2:9][CH2:10][O:11][c:12]2[n:13][n:14]([CH3:38])[c:15]([NH:24][S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]3)[c:16]2-[c:17]2[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]2)[n:6][cH:7]1.[CH2:39]([Sn:40]([CH2:41][CH2:42][CH2:43][CH3:49])([c:44]1[o:45][cH:46][cH:47][cH:48]1)[CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH3:56].[CH2:57]1[O:58][CH2:59][CH2:60][O:61][CH2:62]1.[CH2:63][CH3:64].[CH3:65][C:66]#[N:67]>>[c:2]1(-[c:44]2[o:45][cH:46][cH:47][cH:48]2)[cH:3][n:4][c:5]([O:8][CH2:9][CH2:10][O:11][c:12]2[n:13][n:14]([CH3:38])[c:15]([NH:24][S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]3)[c:16]2-[c:17]2[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]2)[n:6][cH:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-f62c405b71664462936f86981ce8faa0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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