Azetidine → 6-(5-Azetidin-1-yl-pent-1-ynyl)-3-(4-chloro-phenyl)-benzo[d]isothiazole

HRID 1137582Notes

Reaction equation

HRID 1137582 reaction equation
[CH2:27]1[CH2:28][NH:29][CH2:30]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:17]#[C:18][CH2:19][CH2:20][CH2:21][O:22][S:23]([CH3:24])(=[O:25])=[O:26])[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:17]#[C:18][CH2:19][CH2:20][CH2:21][N:29]2[CH2:28][CH2:27][CH2:30]2)[cH:16]3)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 10422AzetidineHCID 57428083Methanesulfonic acid 5-[3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl ester

Product 1

HCID 223139756-(5-Azetidin-1-yl-pent-1-ynyl)-3-(4-chloro-phenyl)-benzo[d]isothiazole

Sources & evidence

ORD record
ord-964d3a3b16044833aadde260dfc657fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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