Formic Acid → 2-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]cyclopropane-1-carboxamide

HRID 202656Notes

Reaction equation

HRID 202656 reaction equation
[CH3:18][N:19]([c:20]1[n:21][c:22]([C:32]([F:33])([F:34])[F:35])[cH:23][cH:24][c:25]1[CH:26]1[CH:27]([C:29](=[O:30])[OH:31])[CH2:28]1)[CH3:36].[CH3:61][N:62]([CH3:63])[CH3:64].[CH:65]([OH:66])=[O:67].[ClH:1].[NH2:2][CH:3]([CH3:4])[c:5]1[cH:6][c:7]([CH3:17])[c:8]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:9][c:10]1[F:11].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[NH:2]([CH:3]([CH3:4])[c:5]1[cH:6][c:7]([CH3:17])[c:8]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:9][c:10]1[F:11])[C:29]([CH:27]1[CH:26]([c:25]2[c:20]([N:19]([CH3:18])[CH3:36])[n:21][c:22]([C:32]([F:33])([F:34])[F:35])[cH:23][cH:24]2)[CH2:28]1)=[O:30]

Participants

9

Reactant 8

HCID 284Formic AcidHCID 313Hydrochloric AcidHCID 1146TrimethylamineHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 58118636N-[4-(1-amino-ethyl)-5-fluoro-2-methyl-phenyl]-methanesulfonamideHCID 670470162-[2-(Dimethylamino)-6-(trifluoromethyl)pyridin-3-yl]cyclopropane-1-carboxylic acid

Product 1

HCID 766536912-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]cyclopropane-1-carboxamide

Sources & evidence

ORD record
ord-0de694d2e0de46849085cf8eb13f3177
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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