Hydrochloric Acid → N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carboxamide

HRID 113996Notes

Reaction equation

HRID 113996 reaction equation
[CH3:25][N+:26]([CH3:27])=[C:28]([N:29]([CH3:30])[CH3:31])[O:32][n:33]1[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1.[CH3:68][N:69]1[CH2:70][CH2:71][CH2:72][C:73]1=[O:74].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[ClH:1].[F:42][C:43]([c:44]1[n:45][c:46]2[c:51]([cH:52][cH:53]1)[CH2:50][CH:49]([C:54](=[O:55])[OH:56])[CH2:48][CH2:47]2)([F:57])[F:58].[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].[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24]>>[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:54]([CH:49]1[CH2:48][CH2:47][c:46]2[n:45][c:44]([C:43]([F:42])([F:57])[F:58])[cH:53][cH:52][c:51]2[CH2:50]1)=[O:55]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 581186312-(Trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acidHCID 58118636N-[4-(1-amino-ethyl)-5-fluoro-2-methyl-phenyl]-methanesulfonamide

Product 1

HCID 90772156N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carboxamide

Sources & evidence

ORD record
ord-ded2f7096fc444a69ef210117b465097
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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