Ammonia → trans 3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutylmethanol

HRID 672590Notes

Reaction equation

HRID 672590 reaction equation
[B:37]([Cl:38])([Cl:39])[Cl:40].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]1[CH2:11][CH:12]([n:14]2[n:15][c:16](-[c:24]3[cH:25][cH:26][c:27]([O:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:28][cH:29]3)[c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[NH2:23])[CH2:13]1.[CH3:45][OH:46].[Cl:42][CH2:43][Cl:44].[NH3:41]>>[OH:8][CH2:9][CH:10]1[CH2:11][CH:12]([n:14]2[n:15][c:16](-[c:24]3[cH:25][cH:26][c:27]([O:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:28][cH:29]3)[c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[NH2:23])[CH2:13]1

Participants

6

Reactant 5

HCID 222AmmoniaHCID 887MethanolHCID 6344DichloromethaneHCID 25135Boron TrichlorideHCID 22346834trans 1-{3-[(benzyloxy)methyl]cyclobutyl}-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 22347387trans 3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutylmethanol

Sources & evidence

ORD record
ord-2566d1847aec4302911f3fca24638799
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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