Hydrochloric Acid → tert-butyl N-(2-{4-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidino}-2-oxoethyl)-N-methylcarbamate

HRID 2138940Notes

Reaction equation

HRID 2138940 reaction equation
[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[N:37]([CH2:38][C:39](=[O:40])[OH:41])[CH3:42].[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[ClH:43].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][n:16]([CH:24]3[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]3)[c:17]3[n:18][cH:19][n:20][c:21]([NH2:23])[c:22]23)[cH:12][cH:13]1.[OH:55][n:56]1[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][n:16]([CH:24]3[CH2:25][CH2:26][N:27]([C:39]([CH2:38][N:37]([C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[CH3:42])=[O:40])[CH2:28][CH2:29]3)[c:17]3[n:18][cH:19][n:20][c:21]([NH2:23])[c:22]23)[cH:12][cH:13]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 83692Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-HCID 181649HOAtHCID 223472623-(4-phenoxyphenyl)-1-(piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 22346983tert-butyl N-(2-{4-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidino}-2-oxoethyl)-N-methylcarbamate

Sources & evidence

ORD record
ord-ec817ecb6aca41e1bcf1d5bfbea0ba04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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