Acetic Acid → ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

HRID 669066Notes

Reaction equation

HRID 669066 reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:21][CH3:22])[CH2:8][CH:9]([NH2:20])[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21.[CH3:23][C:24](=[O:25])[OH:26].[F:27][C:28]([c:29]1[cH:30][c:31]([CH:32]=[O:33])[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42].[K+:58].[Na+:56].[OH-:57]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:21][CH3:22])[CH2:8][CH:9]([NH:20][CH2:32][c:31]2[cH:30][c:29]([C:28]([F:27])([F:41])[F:42])[cH:36][c:35]([C:37]([F:38])([F:39])[F:40])[cH:34]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 813Potassium CationHCID 923Sodium ionHCID 961HydroxideHCID 1362473,5-Bis(trifluoromethyl)benzaldehydeHCID 2724942TriacetoxyborohydrideHCID 9944755Ethyl 4-amino-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate

Product 1

HCID 10122942ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

Sources & evidence

ORD record
ord-a3ec6f6f7b21421284d791ca1ec1cce8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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