Ethanol → 2-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-[1-(trifluoromethylsulfonylamino)butan-2-yl]piperidin-3-yl]acetic acid

HRID 1573923Notes

Reaction equation

HRID 1573923 reaction equation
[CH2:33]([P:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])=[CH:43][C:44]#[N:45])[CH2:46][CH2:47][CH3:48].[CH3:105][CH2:106][OH:107].[CH3:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Cl:1][c:2]1[cH:3][c:4]([CH:5]2[CH:6]([c:7]3[cH:8][cH:9][c:10]([Cl:11])[cH:12][cH:13]3)[N:14]([CH:15]([CH2:16][CH3:17])[CH2:18][OH:19])[C:20](=[O:21])[C:22]([CH2:23][C:24]([O:25][CH3:26])=[O:27])([CH3:28])[CH2:29]2)[cH:30][cH:31][cH:32]1.[Cl:57][c:58]1[cH:59][c:60]([CH:64]2[CH2:65][C:66]([CH3:90])([CH2:91][C:92](=[O:93])[O:94][CH3:95])[C:67](=[O:89])[N:68]([CH:77]([CH2:78][NH:79][S:80](=[O:81])(=[O:82])[C:83]([F:84])([F:85])[F:86])[CH2:87][CH3:88])[CH:69]2[c:70]2[cH:71][cH:72][c:73]([Cl:76])[cH:74][cH:75]2)[cH:61][cH:62][cH:63]1.[F:49][C:50]([F:51])([F:52])[S:53]([NH2:54])(=[O:55])=[O:56].[Li+:97].[OH-:96]>>[Cl:57][c:58]1[cH:59][c:60]([CH:64]2[CH2:65][C:66]([CH3:90])([CH2:91][C:92](=[O:93])[OH:94])[C:67](=[O:89])[N:68]([CH:77]([CH2:78][NH:79][S:80](=[O:81])(=[O:82])[C:83]([F:84])([F:85])[F:86])[CH2:87][CH3:88])[CH:69]2[c:70]2[cH:71][cH:72][c:73]([Cl:76])[cH:74][cH:75]2)[cH:61][cH:62][cH:63]1

Participants

9

Reactant 8

HCID 702EthanolHCID 961HydroxideHCID 1140TolueneHCID 28486Lithium ionHCID 79001TrifluoromethylsulfonamideHCID 4622928CyanomethylenetributylphosphoraneHCID 76834733Methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(1-hydroxybutan-2-yl)-3-methyl-2-oxopiperidin-3-yl]acetateHCID 77394540HCID 77394540, compound

Product 1

HCID 679997332-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-[1-(trifluoromethylsulfonylamino)butan-2-yl]piperidin-3-yl]acetic acid

Sources & evidence

ORD record
ord-f9c5a0bbfd90495cbd4d6df24f106b9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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