Hydrochloric Acid → 2-(dimethylamino)-1-(4-(5-isopropoxy-4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-methylphenyl)piperidin-1-yl)ethanone

HRID 188111Notes

Reaction equation

HRID 188111 reaction equation
[CH3:42][N:43]([CH2:44][C:45](=[O:46])[Cl:47])[CH3:48].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([NH:18][c:19]2[n:20][c:21]([NH:28][c:29]3[c:30]([S:35](=[O:36])(=[O:37])[CH:38]([CH3:39])[CH3:40])[cH:31][cH:32][cH:33][cH:34]3)[c:22]3[c:23]([n:24]2)[nH:25][n:26][cH:27]3)[cH:7][c:8]([CH3:17])[c:9]([CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:10]1.[Cl:56][CH2:57][Cl:58].[ClH:41]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([NH:18][c:19]2[n:20][c:21]([NH:28][c:29]3[c:30]([S:35](=[O:36])(=[O:37])[CH:38]([CH3:39])[CH3:40])[cH:31][cH:32][cH:33][cH:34]3)[c:22]3[c:23]([n:24]2)[nH:25][n:26][cH:27]3)[cH:7][c:8]([CH3:17])[c:9]([CH:11]2[CH2:12][CH2:13][N:14]([C:45]([CH2:44][N:43]([CH3:42])[CH3:48])=[O:46])[CH2:15][CH2:16]2)[cH:10]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 70103442-(Dimethylamino)acetyl chlorideHCID 25160548HCID 25160548, compound

Product 1

HCID 444677532-(dimethylamino)-1-(4-(5-isopropoxy-4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-methylphenyl)piperidin-1-yl)ethanone

Sources & evidence

ORD record
ord-a1198f22e4f644ca9a73e28405de7342
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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