Azetidine → 6-(3-Azetidin-1-yl-prop-1-ynyl)-3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazole

HRID 179862Notes

Reaction equation

HRID 179862 reaction equation
[CH2:28]1[CH2:29][NH:30][CH2:31]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][s:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([C:18]#[C:19][CH2:20][O:21][S:22]([CH3:23])(=[O:24])=[O:25])[cH:17]3)[cH:7][cH:8]1)([F:26])[F:27]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][s:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([C:18]#[C:19][CH2:20][N:30]2[CH2:29][CH2:28][CH2:31]2)[cH:17]3)[cH:7][cH:8]1)([F:26])[F:27]

Participants

3

Reactant 2

HCID 10422AzetidineHCID 86585422Methanesulfonic acid 3-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl ester

Product 1

HCID 99694946-(3-Azetidin-1-yl-prop-1-ynyl)-3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazole

Sources & evidence

ORD record
ord-c2840aa784e947c68a8edc6073baa691
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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