Sodium ion → 3-[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propane-1-sulfonic acid

HRID 1148149Notes

Reaction equation

HRID 1148149 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]([C:9]([CH3:10])=[O:11])[CH:12]2[CH2:13][CH:14]([CH3:31])[N:15]([C:22]([c:23]3[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]3)=[O:30])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]32)[cH:6][cH:7]1.[Cl:34][CH2:35][CH2:36][CH2:37][S:38](=[O:39])(=[O:40])[OH:41].[H-:33].[Na+:32].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]([C:9]([CH3:10])=[O:11])[CH:12]2[CH2:13][CH:14]([CH3:31])[N:15]([C:22]([c:23]3[cH:24][cH:25][c:26]([O:29][CH2:35][CH2:36][CH2:37][S:38](=[O:39])(=[O:40])[OH:41])[cH:27][cH:28]3)=[O:30])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]32)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 1709623-chloropropane-1-sulfonic AcidHCID 21092910N-(4-chlorophenyl)-N-[1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

Product 1

HCID 730418163-[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propane-1-sulfonic acid

Sources & evidence

ORD record
ord-ff3a4eae6c71490baea16c677b030c0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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