Dichloromethane → {4-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-thiophen-2-yl-methanone

HRID 668778Notes

Reaction equation

HRID 668778 reaction equation
[CH3:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[n:23]([CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1.[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[Cl:51][CH2:52][Cl:53].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[s:34]1[c:35]([C:39](=[O:40])[Cl:41])[cH:36][cH:37][cH:38]1>>[CH3:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[n:23]([CH:26]2[CH2:27][CH2:28][N:29]([C:39]([c:35]4[s:34][cH:38][cH:37][cH:36]4)=[O:40])[CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 789282-Thiophenecarbonyl chlorideHCID 81531DiisopropylethylamineHCID 579649614-(4-Methylsulfonylphenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

Product 1

HCID 57964992{4-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-thiophen-2-yl-methanone

Sources & evidence

ORD record
ord-7c4a44fbb33e49c6aac625f01c4f5c62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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