Isopropanol → HCID 25160548, compound

HRID 662767Notes

Reaction equation

HRID 662767 reaction equation
[CH3:45][c:46]1[cH:47][cH:48][c:49]([S:50](=[O:51])(=[O:52])[OH:53])[cH:54][cH:55]1.[CH:1]([CH3:2])([CH3:3])[S:4](=[O:5])(=[O:6])[c:7]1[c:8]([NH:13][c:14]2[c:15]3[c:16]([n:17][c:18]([S:20]([CH3:21])(=[O:22])=[O:23])[n:19]2)[nH:24][n:25][cH:26]3)[cH:9][cH:10][cH:11][cH:12]1.[CH:27]([CH3:28])([CH3:29])[O:30][c:31]1[c:32]([NH2:33])[cH:34][c:35]([CH3:44])[c:36]([CH:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[cH:37]1.[CH:56]([OH:57])([CH3:58])[CH3:59]>>[CH:1]([CH3:2])([CH3:3])[S:4](=[O:5])(=[O:6])[c:7]1[c:8]([NH:13][c:14]2[c:15]3[c:16]([n:17][c:18]([NH:33][c:32]4[c:31]([O:30][CH:27]([CH3:28])[CH3:29])[cH:37][c:36]([CH:38]5[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]5)[c:35]([CH3:44])[cH:34]4)[n:19]2)[nH:24][n:25][cH:26]3)[cH:9][cH:10][cH:11][cH:12]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 6101p-Toluenesulfonic acidHCID 58290851N-(2-(isopropylsulfonyl)phenyl)-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineHCID 582908952-Isopropoxy-5-methyl-4-(piperidin-4-yl)aniline

Product 1

HCID 25160548HCID 25160548, compound

Sources & evidence

ORD record
ord-24fd7dc4f45944c8869f76570c5afd33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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