Bromide ion → 1-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)-ethyl]-urea

HRID 183308Notes

Reaction equation

HRID 183308 reaction equation
[Br-:1].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[F:15][c:16]1[cH:17][c:18](-[c:26]2[c:27]([CH3:32])[n:28][c:29]([NH2:31])[s:30]2)[cH:19][cH:20][c:21]1[S:22](=[O:23])(=[O:24])[CH3:25].[O:2]=[C:3]1[NH:4][CH2:5][CH2:6][c:7]2[n:8]1[cH:9][n+:10]([CH2:12][CH2:13][CH3:14])[cH:11]2>>[O:2]=[C:3]([NH:4][CH2:5][CH2:6][c:7]1[n:8][cH:9][n:10]([CH2:12][CH2:13][CH3:14])[cH:11]1)[NH:31][c:29]1[n:28][c:27]([CH3:32])[c:26](-[c:18]2[cH:17][c:16]([F:15])[c:21]([S:22](=[O:23])(=[O:24])[CH3:25])[cH:20][cH:19]2)[s:30]1

Participants

6

Reactant 5

HCID 259Bromide ionHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 573512775-(3-Fluoro-4-(methylsulfonyl)phenyl)-4-methylthiazol-2-amineHCID 574668362-propyl-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-5-one

Product 1

HCID 574668471-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)-ethyl]-urea

Sources & evidence

ORD record
ord-52e4af7f86fb4a6a8290c71029bf5b35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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