3-(Methylthio)propylamine → N-{2-Fluoro-5-[2-(1-methylethyl)-5-(2-{[3-(methylthio)propyl]amino}-4-pyrimidinyl)-1,3-thiazol-4-yl]phenyl}-1-methyl-1H-imidazole-4-sulfonamide

HRID 209131Notes

Reaction equation

HRID 209131 reaction equation
[CH3:33][S:34][CH2:35][CH2:36][CH2:37][NH2:38].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[cH:17][cH:18][c:19]([F:32])[c:20]([NH:22][S:23](=[O:24])(=[O:25])[c:26]4[n:27][cH:28][n:29]([CH3:31])[cH:30]4)[cH:21]3)[n:10][c:11]([CH:13]([CH3:14])[CH3:15])[s:12]2)[n:7]1>>[c:2]1([NH:38][CH2:37][CH2:36][CH2:35][S:34][CH3:33])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[cH:17][cH:18][c:19]([F:32])[c:20]([NH:22][S:23](=[O:24])(=[O:25])[c:26]4[n:27][cH:28][n:29]([CH3:31])[cH:30]4)[cH:21]3)[n:10][c:11]([CH:13]([CH3:14])[CH3:15])[s:12]2)[n:7]1

Participants

3

Reactant 2

HCID 777433-(Methylthio)propylamineHCID 86636583N-{5-[5-(2-chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-methyl-1H-imidazole-4-sulfonamide

Product 1

HCID 67312602N-{2-Fluoro-5-[2-(1-methylethyl)-5-(2-{[3-(methylthio)propyl]amino}-4-pyrimidinyl)-1,3-thiazol-4-yl]phenyl}-1-methyl-1H-imidazole-4-sulfonamide

Sources & evidence

ORD record
ord-aed51b7cf403460fa8a89d9a94dec6b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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