Dichloromethane → [5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[1-[cyclopropylsulfonyl(methyl)amino]butan-2-yl]-2-oxo-3-prop-2-enylpiperidin-3-yl]methyl methanesulfonate

HRID 2345571Notes

Reaction equation

HRID 2345571 reaction equation
[CH2:6]([CH:7]=[CH2:8])[C:9]1([CH2:42][OH:43])[C:10](=[O:41])[N:11]([CH:29]([CH2:30][N:31]([S:32](=[O:33])(=[O:34])[CH:35]2[CH2:36][CH2:37]2)[CH3:38])[CH2:39][CH3:40])[CH:12]([c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[CH:13]([c:15]2[cH:16][c:17]([Cl:21])[cH:18][cH:19][cH:20]2)[CH2:14]1.[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Cl:51][CH2:52][Cl:53]>>[CH3:1][S:2](=[O:4])(=[O:5])[O:43][CH2:42][C:9]1([CH2:6][CH:7]=[CH2:8])[C:10](=[O:41])[N:11]([CH:29]([CH2:30][N:31]([S:32](=[O:33])(=[O:34])[CH:35]2[CH2:36][CH2:37]2)[CH3:38])[CH2:39][CH3:40])[CH:12]([c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[CH:13]([c:15]2[cH:16][c:17]([Cl:21])[cH:18][cH:19][cH:20]2)[CH2:14]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 178439670HCID 178439670, compound

Product 1

HCID 76834557[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[1-[cyclopropylsulfonyl(methyl)amino]butan-2-yl]-2-oxo-3-prop-2-enylpiperidin-3-yl]methyl methanesulfonate

Sources & evidence

ORD record
ord-68727bb844b5490f9fc8fa5ecba84140
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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