Toluene → Laquinimod

HRID 1565621Notes

Reaction equation

HRID 1565621 reaction equation
[CH2:27]([CH3:28])[NH:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH3:24])([CH3:25])[CH3:26].[OH:1][c:2]1[c:3]([C:15](=[O:16])[OH:17])[c:4](=[O:14])[n:5]([CH3:13])[c:6]2[cH:7][cH:8][cH:9][c:10]([Cl:12])[c:11]12.[S:36]([Cl:37])([Cl:38])=[O:39]>>[OH:1][c:2]1[c:3]([C:15](=[O:17])[N:29]([CH2:27][CH3:28])[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:4](=[O:14])[n:5]([CH3:13])[c:6]2[cH:7][cH:8][cH:9][c:10]([Cl:12])[c:11]12

Participants

6

Reactant 5

HCID 1140TolueneHCID 7670N-EthylanilineHCID 24386Thionyl ChlorideHCID 81531DiisopropylethylamineHCID 547202275-Chloro-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid

Product 1

HCID 54677946Laquinimod

Sources & evidence

ORD record
ord-3a478f94495b43a68ec7f5a3ef78b985
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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