Methanol → 8-[[5-Chloro-2-[[1-(2-hydroxyethyl)-3-methyl-pyrazol-4-yl]amino]-4-pyridyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one

HRID 299923Notes

Reaction equation

HRID 299923 reaction equation
[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[CH3:38][OH:39].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:21])[c:6]([NH:8][c:9]2[cH:10][cH:11][cH:12][c:13]3[c:18]2[C:17](=[O:19])[N:16]([CH3:20])[CH2:15][CH2:14]3)[cH:7]1.[NH2:22][c:23]1[c:24]([CH3:31])[n:25][n:26]([CH2:28][CH2:29][OH:30])[cH:27]1>>[c:2]1([NH:22][c:23]2[c:24]([CH3:31])[n:25][n:26]([CH2:28][CH2:29][OH:30])[cH:27]2)[n:3][cH:4][c:5]([Cl:21])[c:6]([NH:8][c:9]2[cH:10][cH:11][cH:12][c:13]3[c:18]2[C:17](=[O:19])[N:16]([CH3:20])[CH2:15][CH2:14]3)[cH:7]1

Participants

5

Reactant 4

HCID 887MethanolHCID 8857Ethyl AcetateHCID 552846902-(4-Amino-3-methyl-pyrazol-1-yl)-ethanolHCID 866551378-[(2,5-Dichloropyridin-4-yl)amino]-2-methyl-3,4-dihydroisoquinolin-1-one

Product 1

HCID 583365938-[[5-Chloro-2-[[1-(2-hydroxyethyl)-3-methyl-pyrazol-4-yl]amino]-4-pyridyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one

Sources & evidence

ORD record
ord-dc425b4aaa4641e0af9db532e8a172f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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