Isopropanol → 3-(4-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl dimethylcarbamate

HRID 181682

Reaction equation

HRID 181682 reaction equation
[CH3:1][N:2]([C:3]([O:4][c:5]1[cH:6][c:7]([NH:11][C:12](=[O:13])[C:14]2([NH2:20])[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[cH:8][cH:9][cH:10]1)=[O:21])[CH3:22].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[CH:43]([OH:44])([CH3:45])[CH3:46].[Cl:23][c:24]1[c:25]2[c:26]([n:27][cH:28][n:29]1)[nH:30][cH:31][c:32]2[CH3:33]>>[CH3:1][N:2]([C:3]([O:4][c:5]1[cH:6][c:7]([NH:11][C:12](=[O:13])[C:14]2([NH2:20])[CH2:15][CH2:16][N:17]([c:24]3[c:25]4[c:26]([n:27][cH:28][n:29]3)[nH:30][cH:31][c:32]4[CH3:33])[CH2:18][CH2:19]2)[cH:8][cH:9][cH:10]1)=[O:21])[CH3:22]

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 81531DiisopropylethylamineHCID 148092824-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidineHCID 670367823-(4-Aminopiperidine-4-carboxamido)phenyl dimethylcarbamate

Product 1

HCID 579202093-(4-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl dimethylcarbamate

Sources & evidence

ORD record
ord-35165c55dd7e4fd4aa9f8a912a1e2adc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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