Hydrochloric Acid → N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-2-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]cyclopropane-1-carboxamide

HRID 2150170Notes

Reaction equation

HRID 2150170 reaction equation
[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[CH3:6][C:7]1([c:13]2[cH:14][cH:15][c:16]([S:19][C:20]([F:21])([F:22])[F:23])[cH:17][cH:18]2)[CH:8]([C:10](=[O:11])[OH:12])[CH2:9]1.[ClH:48].[NH2:49][CH:50]([CH3:51])[c:52]1[cH:53][c:54]([CH3:63])[c:55]([NH:58][S:59](=[O:60])(=[O:61])[CH3:62])[cH:56][cH:57]1.[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[CH3:6][C:7]1([c:13]2[cH:14][cH:15][c:16]([S:19][C:20]([F:21])([F:22])[F:23])[cH:17][cH:18]2)[CH:8]([C:10](=[O:12])[NH:49][CH:50]([CH3:51])[c:52]2[cH:53][c:54]([CH3:63])[c:55]([NH:58][S:59](=[O:60])(=[O:61])[CH3:62])[cH:56][cH:57]2)[CH2:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 670468242-Methyl-2-[4-(trifluoromethylsulfanyl)phenyl]cyclopropane-1-carboxylic acidHCID 70968436N-[4-(1-aminoethyl)-2-methylphenyl]methanesulfonamide

Product 1

HCID 70968387N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-2-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]cyclopropane-1-carboxamide

Sources & evidence

ORD record
ord-09c8fd2fa9734f4981c04788ca5e15f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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