Hydrochloric Acid → 3-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-N-methylsulfonylpropanamide

HRID 206967Notes

Reaction equation

HRID 206967 reaction equation
[CH3:34][N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH3:44].[CH3:45][S:46](=[O:47])(=[O:48])[NH2:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][N:58]([CH3:59])[c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:13][CH2:14][C:15](=[O:16])[N:17]2[CH:18]([CH3:32])[CH2:19][N:20]([CH2:24][c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH:21]([CH3:23])[CH2:22]2)[c:6]([CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:7]1.[Cl:66][CH2:67][Cl:68].[ClH:33]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:13][CH2:14][C:15](=[O:16])[N:17]2[CH:18]([CH3:32])[CH2:19][N:20]([CH2:24][c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH:21]([CH3:23])[CH2:22]2)[c:6]([CH2:8][CH2:9][C:10](=[O:12])[NH:49][S:46]([CH3:45])(=[O:47])=[O:48])[cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 72879MethanesulfonamideHCID 219733333-[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]propanoic acid

Product 1

HCID 102804353-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-N-methylsulfonylpropanamide

Sources & evidence

ORD record
ord-61bc3b5435834c1e88a76bd63e71bd50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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