Ethanol → 6-[(cyclopropylmethyl)(propyl)amino]-N-(4-{[(2-methoxyethyl)amino]sulfonyl}-2-methylphenyl)pyrimidine-4-carboxamide

HRID 138505

Reaction equation

HRID 138505 reaction equation
[CH3:41][CH2:42][OH:43].[CH:26]([NH:27][CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[CH:33]1([CH2:36][NH:37][CH2:38][CH2:39][CH3:40])[CH2:34][CH2:35]1.[Cl:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[NH:10][c:11]2[c:12]([CH3:25])[cH:13][c:14]([S:17]([NH:18][CH2:19][CH2:20][O:21][CH3:22])(=[O:23])=[O:24])[cH:15][cH:16]2)[n:5][cH:6][n:7]1>>[c:2]1([N:37]([CH2:36][CH:33]2[CH2:34][CH2:35]2)[CH2:38][CH2:39][CH3:40])[cH:3][c:4]([C:8](=[O:9])[NH:10][c:11]2[c:12]([CH3:25])[cH:13][c:14]([S:17]([NH:18][CH2:19][CH2:20][O:21][CH3:22])(=[O:23])=[O:24])[cH:15][cH:16]2)[n:5][cH:6][n:7]1

Participants

5

Reactant 4

HCID 702EthanolHCID 7912DiisopropylamineHCID 117787Cyclopropanemethanamine, N-propyl-HCID 594471076-chloro-N-(4-(N-(2-methoxyethyl)sulfamoyl)-2-methylphenyl)pyrimidine-4-carboxamide

Product 1

HCID 251830696-[(cyclopropylmethyl)(propyl)amino]-N-(4-{[(2-methoxyethyl)amino]sulfonyl}-2-methylphenyl)pyrimidine-4-carboxamide

Sources & evidence

ORD record
ord-84ce168a9eba44eaa69c7e876cec732c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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