3-Butyn-1-OL → 4-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-but-3-yn-1-ol

HRID 283608Notes

Reaction equation

HRID 283608 reaction equation
[CH2:25]([CH2:26][C:27]#[CH:28])[OH:29].[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]([O:17][S:18]([C:19]([F:20])([F:21])[F:22])(=[O:23])=[O:24])[cH:16]3)[cH:6][cH:7]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]([C:28]#[C:27][CH2:26][CH2:25][OH:29])[cH:16]3)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 135663-Butyn-1-OLHCID 86585419Trifluoro-methanesulfonic acid 3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl ester

Product 1

HCID 223141874-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-but-3-yn-1-ol

Sources & evidence

ORD record
ord-3901552f389f4b389735b74076a56d80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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