Ethanol → 2-[2-(4-Fluoro-benzoylamino)-phenyl]-4,4-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

HRID 89477Notes

Reaction equation

HRID 89477 reaction equation
[CH3:39][CH2:40][OH:41].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[c:10]([CH:15]3[NH:16][c:17]4[cH:18][cH:19][c:20]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:21][c:22]4[C:23]([CH3:25])([CH3:26])[CH2:24]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:32][cH:33]1.[Li+:36].[Na+:38].[OH-:35].[OH-:37].[OH2:34].[OH2:42]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[c:10]([CH:15]3[NH:16][c:17]4[cH:18][cH:19][c:20]([C:27](=[O:28])[OH:29])[cH:21][c:22]4[C:23]([CH3:25])([CH3:26])[CH2:24]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:32][cH:33]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961Hydroxide2×HCID 962Water2×HCID 28486Lithium ionHCID 67290770HCID 67290770, compound

Product 1

HCID 569669332-[2-(4-Fluoro-benzoylamino)-phenyl]-4,4-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Sources & evidence

ORD record
ord-8206387405144489b3fe95ef3d628ce7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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