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

HRID 2347858Notes

Reaction equation

HRID 2347858 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].[CH3:32][CH:33]1[CH2:34][O:35][CH2:36][CH2:37][NH:38]1.[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].[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:38]3[CH:33]([CH3:32])[CH2:34][O:35][CH2:36][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

6

Reactant 5

HCID 111,2-DichloroethaneHCID 923Sodium ionHCID 2921033-MethylmorpholineHCID 2724942TriacetoxyborohydrideHCID 768347852-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-(1-oxobutan-2-yl)piperidin-3-yl]acetic acid

Product 1

HCID 679983542-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[1-(3-methylmorpholin-4-yl)butan-2-yl]-2-oxopiperidin-3-yl]acetic acid

Sources & evidence

ORD record
ord-e7661acd0f0b477eaf0a0e9031efae09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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