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

HRID 1130819Notes

Reaction equation

HRID 1130819 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:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[Cl:55][CH2:56][Cl:57].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[s:34]1[c:35]([C:43](=[O:44])[Cl:45])[n:36][c:37]2[c:38]1[cH:39][cH:40][cH:41][cH:42]2>>[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:43]([c:35]4[s:34][c:38]5[c:37]([n:36]4)[cH:42][cH:41][cH:40][cH:39]5)=[O:44])[CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 2776254Benzothiazole-2-carbonyl chlorideHCID 579649614-(4-Methylsulfonylphenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

Product 1

HCID 57964911Benzothiazol-2-yl-{4-[4-(4-methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-methanone

Sources & evidence

ORD record
ord-a78ed35bea884109aec896c196179e13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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