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 314332Notes

Reaction equation

HRID 314332 reaction equation
[CH3:54][N+:55]([CH3:56])=[C:57]([N:58]([CH3:59])[CH3:60])[O:61][n:62]1[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1.[CH3:71][N:72]1[CH2:73][CH2:74][CH2:75][C:76]1=[O:77].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[ClH:1].[F:18][C:19]([C:20]([CH3:21])([CH3:22])[c:23]1[n:24][c:25]2[c:30]([cH:31][cH:32]1)[CH2:29][CH:28]([C:33](=[O:34])[OH:35])[CH2:27][CH2:26]2)([F:36])[F:37].[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-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53]>>[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:33]([CH:28]1[CH2:27][CH2:26][c:25]2[n:24][c:23]([C:20]([C:19]([F:18])([F:36])[F:37])([CH3:21])[CH3:22])[cH:32][cH:31][c:30]2[CH2:29]1)=[O:34]

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-b2d352a4e18643a6b9f78c1a0e17bb23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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