Ethanolamine → 5-{2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}-N-(2-hydroxyethyl)pyridine-2-carboxamide

HRID 1140958Notes

Reaction equation

HRID 1140958 reaction equation
[NH2:1][c:2]1[n:3][c:4]([N:28]2[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]2)[cH:5][c:6]([N:8]2[CH2:9][c:10]3[cH:11][c:12](-[c:19]4[cH:20][cH:21][c:22]([C:25](=[O:26])[OH:27])[n:23][cH:24]4)[cH:13][cH:14][c:15]3[CH2:16][CH:17]2[CH3:18])[n:7]1.[NH2:35][CH2:36][CH2:37][OH:38]>>[NH2:1][c:2]1[n:3][c:4]([N:28]2[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]2)[cH:5][c:6]([N:8]2[CH2:9][c:10]3[cH:11][c:12](-[c:19]4[cH:20][cH:21][c:22]([C:25](=[O:27])[NH:35][CH2:36][CH2:37][OH:38])[n:23][cH:24]4)[cH:13][cH:14][c:15]3[CH2:16][CH:17]2[CH3:18])[n:7]1

Participants

3

Reactant 2

HCID 700EthanolamineHCID 594023605-{2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}pyridine-2-carboxylic acid

Product 1

HCID 467017245-{2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}-N-(2-hydroxyethyl)pyridine-2-carboxamide

Sources & evidence

ORD record
ord-5e3f8997543f464d85dc3e2989b773ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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