1,2-Dichloroethane → 2-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[1-(3,3-difluoroazetidin-1-yl)butan-2-yl]-3-methyl-2-oxopiperidin-3-yl]acetic acid

HRID 1238846Notes

Reaction equation

HRID 1238846 reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH3:27])([CH2:28][C:29](=[O:30])[OH:31])[C:11](=[O:26])[N:12]([CH:21]([CH:22]=[O:23])[CH2:24][CH3:25])[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1.[Cl:53][CH2:54][CH2:55][Cl:56].[ClH:32].[F:33][C:34]1([F:38])[CH2:35][NH:36][CH2:37]1.[Na+:52]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH3:27])([CH2:28][C:29](=[O:30])[OH:31])[C:11](=[O:26])[N:12]([CH:21]([CH2:22][N:36]3[CH2:35][C:34]([F:33])([F:38])[CH2:37]3)[CH2:24][CH3:25])[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 27582483,3-DifluoroazetidineHCID 768347852-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-oxobutan-2-yl)piperidin-3-yl]acetic acid

Product 1

HCID 680010132-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[1-(3,3-difluoroazetidin-1-yl)butan-2-yl]-3-methyl-2-oxopiperidin-3-yl]acetic acid

Sources & evidence

ORD record
ord-6e54448d92404967b3f09d073ffa62cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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