HCID 22314084, compound → HCID 22313999, compound

HRID 1117272Notes

Reaction equation

HRID 1117272 reaction equation
[CH2:28]([CH3:29])[N:30]([CH:31]([C:32]#[CH:33])[CH3:34])[CH2:35][CH2:36][O:37][CH3:38].[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:33]#[C:32][CH:31]([N:30]([CH2:28][CH3:29])[CH2:35][CH2:36][O:37][CH3:38])[CH3:34])[cH:17]3)[cH:7][cH:8]1)([F:26])[F:27]

Participants

3

Reactant 2

HCID 22314084HCID 22314084, compoundHCID 57428077Trifluoro-methanesulfonic acid 3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl ester

Product 1

HCID 22313999HCID 22313999, compound

Sources & evidence

ORD record
ord-f7f516559fa043d8a34cd3ce68690671
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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