Diethylamine → {5-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl}-diethyl-amine

HRID 304958Notes

Reaction equation

HRID 304958 reaction equation
[CH2:27]([CH3:28])[NH:29][CH2:30][CH3:31].[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]([CH2:27][CH3:28])[CH2:30][CH3:31])[cH:16]3)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 8021DiethylamineHCID 57428083Methanesulfonic acid 5-[3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl ester

Product 1

HCID 10134540{5-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl}-diethyl-amine

Sources & evidence

ORD record
ord-8a4cfcaa85cb43fa9db27fd62fe50eab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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