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

HRID 2123716Notes

Reaction equation

HRID 2123716 reaction equation
[CH3:71][N:72]1[CH2:73][CH2:74][CH2:75][C:76]1=[O:77].[CH3:8][N+:9]([CH3:10])=[C:11]([N:12]([CH3:13])[CH3:14])[O:15][n:16]1[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1.[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[ClH:54].[F:34][C:35]([C:36]([CH3:37])([CH3:38])[c:39]1[n:40][c:41]2[c:46]([cH:47][cH:48]1)[CH2:45][CH:44]([C:49](=[O:50])[OH:51])[CH2:43][CH2:42]2)([F:52])[F:53].[NH2:55][CH:56]([CH3:57])[c:58]1[cH:59][c:60]([CH3:70])[c:61]([NH:65][S:66](=[O:67])(=[O:68])[CH3:69])[cH:62][c:63]1[F:64].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7]>>[F:34][C:35]([C:36]([CH3:37])([CH3:38])[c:39]1[n:40][c:41]2[c:46]([cH:47][cH:48]1)[CH2:45][CH:44]([C:49](=[O:51])[NH:55][CH:56]([CH3:57])[c:58]1[cH:59][c:60]([CH3:70])[c:61]([NH:65][S:66](=[O:67])(=[O:68])[CH3:69])[cH:62][c:63]1[F:64])[CH2:43][CH2:42]2)([F:52])[F:53]

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 581186242-(1,1,1-Trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acidHCID 58118636N-[4-(1-amino-ethyl)-5-fluoro-2-methyl-phenyl]-methanesulfonamide

Product 1

HCID 123555301N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide

Sources & evidence

ORD record
ord-4acb7b3ad62e48e0a18827fdfcc46736
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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