Propargyl alcohol → 3-[3-(4-Bromo-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-yn-1-ol

HRID 2128437Notes

Reaction equation

HRID 2128437 reaction equation
[Br: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.[CH2:25]([C:26]#[CH:27])[OH:28]>>[Br: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:27]#[C:26][CH2:25][OH:28])[cH:16]3)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 7859Propargyl alcoholHCID 57428076Trifluoro-methanesulfonic acid 3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yl ester

Product 1

HCID 223139303-[3-(4-Bromo-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-yn-1-ol

Sources & evidence

ORD record
ord-3c1dade8bf8442448d7b988d838c39a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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