Ethanol → Methanesulfonic acid 4-[3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl]-butyl ester

HRID 2143720Notes

Reaction equation

HRID 2143720 reaction equation
[CH3:26][CH2:27][OH:28].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([C:17]#[C:18][CH2:19][CH2:20][O:21][S:22](=[O:23])(=[O:24])[CH3:25])[cH:16]3)[cH:6][cH:7]1.[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([CH2:17][CH2:18][CH2:19][CH2:20][O:21][S:22](=[O:23])(=[O:24])[CH3:25])[cH:16]3)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 702EthanolHCID 312751,4-DioxaneHCID 57428082Methanesulfonic acid 4-[3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl]-but-3-ynyl ester

Product 1

HCID 57428084Methanesulfonic acid 4-[3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl]-butyl ester

Sources & evidence

ORD record
ord-556b5b0eb3be4b6cb49e6b3b56202277
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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