Allyl-(1-ethynyl-cyclopentyl)-methyl-amine → Allyl-methyl-{1-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-ylethynyl]-cyclopentyl}-amine

HRID 2335844Notes

Reaction equation

HRID 2335844 reaction equation
[CH2:28]([CH:29]=[CH2:30])[N:31]([CH3:32])[C:33]1([C:38]#[CH:39])[CH2:34][CH2:35][CH2:36][CH2:37]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]([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:39]#[C:38][C:33]2([N:31]([CH2:28][CH:29]=[CH2:30])[CH3:32])[CH2:34][CH2:35][CH2:36][CH2:37]2)[cH:17]3)[cH:7][cH:8]1)([F:26])[F:27]

Participants

3

Reactant 2

HCID 22313997Allyl-(1-ethynyl-cyclopentyl)-methyl-amineHCID 57428077Trifluoro-methanesulfonic acid 3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl ester

Product 1

HCID 22313941Allyl-methyl-{1-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-ylethynyl]-cyclopentyl}-amine

Sources & evidence

ORD record
ord-c6324ddb2bcb446083848004f788045f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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