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

HRID 2131636Notes

Reaction equation

HRID 2131636 reaction equation
[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[N:37]([CH2:38][CH2:39][C:40](=[O:41])[OH:42])[CH2:43][CH2:44][OH:45].[CH3:47][N:48]([CH3:49])[CH2:50][CH2:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH3:57].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:77][CH2:78][Cl:79].[ClH:46].[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:67][n:68]1[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]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:40]([CH2:39][CH2:38][N:37]([C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[CH2:43][CH2:44][OH:45])=[O:41])[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

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 223469613-{[(Tert-butoxy)carbonyl](2-hydroxyethyl)amino}propanoicacidHCID 223472623-(4-phenoxyphenyl)-1-(piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 18761469tert-butyl N-(3-{4-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidino}-3-oxopropyl)-N-(2-hydroxyethyl)carbamate

Sources & evidence

ORD record
ord-8a205516101f46fc9360793fa367ef8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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