1-Butanol → methyl-4-((6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)butyl)benzo[d]thiazol-2-yl)amino)benzoate

HRID 1218420Notes

Reaction equation

HRID 1218420 reaction equation
[Br:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([CH:11]([CH:12]([CH2:13][CH3:14])[N:15]([CH3:16])[CH3:17])[n:18]1[cH:19][n:20][cH:21][cH:22]1)[cH:10]2.[CH2:35]([OH:36])[CH2:37][CH2:38][CH3:39].[CH3:23][O:24][C:25]([c:26]1[cH:27][cH:28][c:29]([NH2:32])[cH:30][cH:31]1)=[O:33].[ClH:34]>>[c:2]1([NH:32][c:29]2[cH:28][cH:27][c:26]([C:25]([O:24][CH3:23])=[O:33])[cH:31][cH:30]2)[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([CH:11]([CH:12]([CH2:13][CH3:14])[N:15]([CH3:16])[CH3:17])[n:18]1[cH:19][n:20][cH:21][cH:22]1)[cH:10]2

Participants

5

Reactant 4

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 12082Methyl 4-aminobenzoateHCID 547620851-(2-bromobenzo[d]thiazol-6-yl)-1-(1H-imidazol-1-yl)-N,N-dimethylbutan-2-amine

Product 1

HCID 54760075methyl-4-((6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)butyl)benzo[d]thiazol-2-yl)amino)benzoate

Sources & evidence

ORD record
ord-eea9cdf6ecc34c448d453bca15ffc267
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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