Hydrochloric Acid → 2-[3,5-difluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide

HRID 288153Notes

Reaction equation

HRID 288153 reaction equation
[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[ClH:52].[F:6][c:7]1[cH:8][c:9]([C:21]2([CH3:27])[CH:22]([C:24](=[O:25])[OH:26])[CH2:23]2)[cH:10][c:11]([F:20])[c:12]1[C:13]([C:14]([F:15])([F:16])[F:17])([CH3:18])[CH3:19].[NH2:53][CH:54]([CH3:55])[c:56]1[cH:57][c:58]([CH2:67][CH3:68])[c:59]([NH:62][S:63](=[O:64])(=[O:65])[CH3:66])[cH:60][cH:61]1.[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[F:6][c:7]1[cH:8][c:9]([C:21]2([CH3:27])[CH:22]([C:24](=[O:26])[NH:53][CH:54]([CH3:55])[c:56]3[cH:57][c:58]([CH2:67][CH3:68])[c:59]([NH:62][S:63](=[O:64])(=[O:65])[CH3:66])[cH:60][cH:61]3)[CH2:23]2)[cH:10][c:11]([F:20])[c:12]1[C:13]([C:14]([F:15])([F:16])[F:17])([CH3:18])[CH3:19]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 670468142-[3,5-Difluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-2-methylcyclopropane-1-carboxylic acidHCID 77250823N-[4-(1-aminoethyl)-2-ethylphenyl]methanesulfonamide

Product 1

HCID 709684672-[3,5-difluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide

Sources & evidence

ORD record
ord-d0812475e1dc4d73a199a20a039f2e36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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