Acetic Acid → Acetic Acid

HRID 701903Notes

Reaction equation

HRID 701903 reaction equation
[C:26]([CH3:27])(=[O:28])[OH:29].[CH3:30][OH: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][N:20]([CH2:21][CH2:22][OH:23])[CH2:24][CH3:25])[cH:16]3)[cH:6][cH:7]1>>[C:26]([CH3:27])(=[O:28])[OH:29].[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]([CH:17]=[CH:18][CH2:19][N:20]([CH2:21][CH2:22][OH:23])[CH2:24][CH3:25])[cH:16]3)[cH:6][cH:7]1

Participants

5

Reactant 3

HCID 176Acetic AcidHCID 887MethanolHCID 223141722-({3-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl}-ethyl-amino)-ethanol

Product 2

HCID 176Acetic AcidHCID 69292081HCID 69292081, compound

Sources & evidence

ORD record
ord-9017bf2991a9459493f30f5d51e833b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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