Hydrochloric Acid → N-(3-acetamido-1-(4-chlorophenyl)propyl)-4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

HRID 289357Notes

Reaction equation

HRID 289357 reaction equation
[C:8]([CH3:9])(=[O:10])[NH:11][CH2:12][CH2:13][CH:14]([c:15]1[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]1)[NH:22][C:23](=[O:24])[C:25]1([NH:40][C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:26][CH2:27][N:28]([c:31]2[c:32]3[c:33]([n:34][cH:35][n:36]2)[nH:37][cH:38][cH:39]3)[CH2:29][CH2:30]1.[CH2:2]1[O:3][CH2:4][CH2:5][O:6][CH2:7]1.[Cl:48][CH2:49][Cl:50].[ClH:1]>>[C:8]([CH3:9])(=[O:10])[NH:11][CH2:12][CH2:13][CH:14]([c:15]1[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]1)[NH:22][C:23](=[O:24])[C:25]1([NH2:40])[CH2:26][CH2:27][N:28]([c:31]2[c:32]3[c:33]([n:34][cH:35][n:36]2)[nH:37][cH:38][cH:39]3)[CH2:29][CH2:30]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 57750323tert-butyl 4-(3-acetamido-1-(4-chlorophenyl)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Product 1

HCID 42602177N-(3-acetamido-1-(4-chlorophenyl)propyl)-4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Sources & evidence

ORD record
ord-bc5d13a2da35480eab8cbae899458e9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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