(1,1-Dimethyl-prop-2-ynyl)-ethyl-(2-methoxy-ethyl)-amine → {1,1-Dimethyl-3-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl}-ethyl-(2-methoxy-ethyl)-amine

HRID 689802Notes

Reaction equation

HRID 689802 reaction equation
[CH3:28][C:29]([C:30]#[CH:31])([CH3:32])[N:33]([CH2:34][CH2:35][O:36][CH3:37])[CH2:38][CH3:39].[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]([O:18][S:19]([C:20]([F:21])([F:22])[F: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:31]#[C:30][C:29]([CH3:28])([CH3:32])[N:33]([CH2:34][CH2:35][O:36][CH3:37])[CH2:38][CH3:39])[cH:17]3)[cH:7][cH:8]1)([F:26])[F:27]

Participants

3

Reactant 2

HCID 22314079(1,1-Dimethyl-prop-2-ynyl)-ethyl-(2-methoxy-ethyl)-amineHCID 57428077Trifluoro-methanesulfonic acid 3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl ester

Product 1

HCID 22314164{1,1-Dimethyl-3-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl}-ethyl-(2-methoxy-ethyl)-amine

Sources & evidence

ORD record
ord-0e0349141aea4e838a6c5eed693a7e7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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