4-Pentyn-1-ol → 5-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-yn-1-ol

HRID 679142Notes

Reaction equation

HRID 679142 reaction equation
[CH2:25]([CH2:26][CH2:27][C:28]#[CH:29])[OH:30].[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:29]#[C:28][CH2:27][CH2:26][CH2:25][OH:30])[cH:16]3)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 793464-Pentyn-1-olHCID 86585419Trifluoro-methanesulfonic acid 3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl ester

Product 1

HCID 223140955-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-yn-1-ol

Sources & evidence

ORD record
ord-df4d145ab5a94f249b5da8fdfed5e3e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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