Benzene → 5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)-3-methyl-3-prop-2-enylpiperidin-2-one

HRID 1210412Notes

Reaction equation

HRID 1210412 reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][S:41](=[O:42])(=[O:43])[Cl:44].[CH3:45][N:46]([CH3:47])[c:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][c:54]2[N:55]([CH3:56])[CH3:57])[cH:58][cH:59][cH:60]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][C:10]([C:11](=[O:12])[NH:13][CH:14]([CH2:15][OH:16])[CH:17]([CH3:18])[CH3:19])([CH2:20][CH:21]=[CH2:22])[CH3:23])[CH:24]([OH:25])[c:26]2[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]2)[cH:5][cH:6][cH:7]1.[O:74]1[CH2:75][CH2:76][O:77][CH2:78][CH2:79]1.[OH2:61].[cH:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH2:20][CH:21]=[CH2:22])([CH3:23])[C:11](=[O:12])[N:13]([CH:14]([CH2:15][OH:16])[CH:17]([CH3:18])[CH3:19])[CH:24]2[c:26]2[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]2)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 962WaterHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 31297Methanesulfonyl chlorideHCID 88675Proton spongeHCID 768347072-[2-(3-chlorophenyl)-3-(4-chlorophenyl)-3-hydroxypropyl]-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide

Product 1

HCID 768345995-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)-3-methyl-3-prop-2-enylpiperidin-2-one

Sources & evidence

ORD record
ord-57d7e44534354dad82d8314d271b078c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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