3-(Bromomethyl)pyridine → 5-Phenyl-4-[(4-phenylbutyl)amino]-2-(pyridin-3-ylmethyl)isothiazol-3(2H)-one 1,1-dioxide

HRID 102771

Reaction equation

HRID 102771 reaction equation
[Br:30][CH2:31][c:32]1[cH:33][n:34][cH:35][cH:36][cH:37]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:28])(=[O:29])[C:7]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[C:8]([NH:11][CH2:12][CH2:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C:9]1=[O:10]>>[N:5]1([CH2:31][c:32]2[cH:33][n:34][cH:35][cH:36][cH:37]2)[S:6](=[O:28])(=[O:29])[C:7]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[C:8]([NH:11][CH2:12][CH2:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C:9]1=[O:10]

Participants

3

Reactant 2

HCID 2459343-(Bromomethyl)pyridineHCID 114952832-tert-Butyl-5-phenyl-4-[(4-phenylbutyl)amino]isothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 117120235-Phenyl-4-[(4-phenylbutyl)amino]-2-(pyridin-3-ylmethyl)isothiazol-3(2H)-one 1,1-dioxide

Sources & evidence

ORD record
ord-7dd66cb676464f6eb88efcd1c2c96a51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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