Hydrochloric Acid → AZD5363 (Capivasertib)

HRID 1148529Notes

Reaction equation

HRID 1148529 reaction equation
[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][CH2:11][OH:12])[NH:13][C:14](=[O:15])[C:16]2([NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:17][CH2:18][N:19]([c:22]3[c:23]4[c:24]([n:25][cH:26][n:27]3)[nH:28][cH:29][cH:30]4)[CH2:20][CH2:21]2)[cH:7][cH:8]1.[Cl:39][CH2:40][Cl:41].[ClH:1]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][CH2:11][OH:12])[NH:13][C:14](=[O:15])[C:16]2([NH2:31])[CH2:17][CH2:18][N:19]([c:22]3[c:23]4[c:24]([n:25][cH:26][n:27]3)[nH:28][cH:29][cH:30]4)[CH2:20][CH2:21]2)[cH:7][cH:8]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 57750387tert-butyl 4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Product 1

HCID 42602260AZD5363 (Capivasertib)

Sources & evidence

ORD record
ord-544c281a4af7454a9c9ae692aa78e703
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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