1,2-Dichloroethane → Ethyl 3-(2-fluoro-4-{[(4'-hydroxy-2',6'-dimethylbiphenyl-3-yl)methyl]amino}phenyl)propanoate

HRID 96268Notes

Reaction equation

HRID 96268 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH3:33][C:34](=[O:35])[OH:36].[Cl:51][CH2:52][CH2:53][Cl:54].[NH2:18][c:19]1[cH:20][c:21]([F:32])[c:22]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:23][cH:24]1.[Na+:50].[OH:1][c:2]1[cH:3][c:4]([CH3:17])[c:5](-[c:9]2[cH:10][c:11]([CH:15]=[O:16])[cH:12][cH:13][cH:14]2)[c:6]([CH3:8])[cH:7]1>>[OH:1][c:2]1[cH:3][c:4]([CH3:17])[c:5](-[c:9]2[cH:10][c:11]([CH2:15][NH:18][c:19]3[cH:20][c:21]([F:32])[c:22]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:23][cH:24]3)[cH:12][cH:13][cH:14]2)[c:6]([CH3:8])[cH:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 231116914'-Hydroxy-2',6'-dimethyl-[1,1'-biphenyl]-3-carbaldehydeHCID 23157234Ethyl 3-(4-amino-2-fluorophenyl)propanoate

Product 1

HCID 23157575Ethyl 3-(2-fluoro-4-{[(4'-hydroxy-2',6'-dimethylbiphenyl-3-yl)methyl]amino}phenyl)propanoate

Sources & evidence

ORD record
ord-f0fd5f953fb445659cc3f1b54622cc2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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