1-Butanol → AZD5363 (Capivasertib)

HRID 664856Notes

Reaction equation

HRID 664856 reaction equation
[CH2:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH:6]([CH3:7])[CH3:8])[CH3:9].[CH3:41][CH2:42][CH2:43][CH2:44][OH:45].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Cl:31][c:32]1[c:33]2[c:34]([n:35][cH:36][n:37]1)[nH:38][cH:39][cH:40]2.[NH2:10][C:11]1([C:17](=[O:18])[NH:19][CH:20]([CH2:21][CH2:22][OH:23])[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]1>>[NH2:10][C:11]1([C:17](=[O:18])[NH:19][CH:20]([CH2:21][CH2:22][OH:23])[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[CH2:12][CH2:13][N:14]([c:32]2[c:33]3[c:34]([n:35][cH:36][n:37]2)[nH:38][cH:39][cH:40]3)[CH2:15][CH2:16]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 53566827H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-HCID 666747004-amino-N-[1-(4-chlorophenyl)-3-hydroxypropyl]piperidine-4-carboxamide

Product 1

HCID 42602260AZD5363 (Capivasertib)

Sources & evidence

ORD record
ord-7960bfd15738466b9b828c620459ce06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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