Chloroform → 6-(4-{[4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl}phenyl)-2-chloro-5-phenylnicotinonitrile

HRID 1207750Notes

Reaction equation

HRID 1207750 reaction equation
[C:31]([O:32][O:33][C:34](=[O:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)(=[O:42])[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH:65]([N:66]([CH:67]([CH3:68])[CH3:69])[CH2:70][CH3:71])([CH3:72])[CH3:73].[CH:74]([Cl:75])([Cl:76])[Cl:77].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[NH:49]1[CH2:50][CH2:51][CH:52]([n:55]2[n:56][cH:57][c:58]3[c:59]2[n:60][cH:61][n:62][c:63]3[NH2:64])[CH2:53][CH2:54]1.[O:23]=[C:24]1[N:25]([Br:26])[C:27](=[O:28])[CH2:29][CH2:30]1>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:8](-[c:10]2[cH:11][cH:12][c:13]([CH2:16][N:49]3[CH2:50][CH2:51][CH:52]([n:55]4[n:56][cH:57][c:58]5[c:59]4[n:60][cH:61][n:62][c:63]5[NH2:64])[CH2:53][CH2:54]3)[cH:14][cH:15]2)[n:9]1

Participants

7

Reactant 6

HCID 6212ChloroformHCID 7187Benzoyl PeroxideHCID 67184N-bromobutanimideHCID 81531DiisopropylethylamineHCID 211031982-Chloro-6-(4-methylphenyl)-5-phenylnicotinonitrileHCID 577139461-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 114438076-(4-{[4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl}phenyl)-2-chloro-5-phenylnicotinonitrile

Sources & evidence

ORD record
ord-86dd2589c17f4a2cabb10c1718071573
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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