Toluene → 2-[3-(3,3-Dimethylbutyl)-2-[3-fluoro-2-(3-fluoropyrrolidin-1-yl)phenyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

HRID 293626

Reaction equation

HRID 293626 reaction equation
[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[F:1][c:2]1[c:3]([N:16]2[CH2:17][CH:18]([F:21])[CH2:19][CH2:20]2)[c:4]([CH:5]=[N:6][CH2:7][CH2:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14][cH:15]1.[SH:22][CH:23]([C:24](=[O:25])[OH:26])[CH2:27][C:28](=[O:29])[OH:30]>>[F:1][c:2]1[c:3]([N:16]2[CH2:17][CH:18]([F:21])[CH2:19][CH2:20]2)[c:4]([CH:5]2[N:6]([CH2:7][CH2:8][C:9]([CH3:10])([CH3:11])[CH3:12])[C:24](=[O:25])[CH:23]([CH2:27][C:28](=[O:29])[OH:30])[S:22]2)[cH:13][cH:14][cH:15]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 6268(+-)-Mercaptosuccinic acidHCID 67276676N-(3-fluoro-2-(3-fluoropyrrolidin-1-yl)benzylidene)-3,3-dimethylbutan-1-amine

Product 1

HCID 766020012-[3-(3,3-Dimethylbutyl)-2-[3-fluoro-2-(3-fluoropyrrolidin-1-yl)phenyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

Sources & evidence

ORD record
ord-4232e2030cee4cd1a48335a712f9468e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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