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 1231699Notes

Reaction equation

HRID 1231699 reaction equation
[CH3:37][N+:38]([CH3:39])=[C:40]([N:41]([CH3:42])[CH3:43])[O:44][n:45]1[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1.[CH3:71][N:72]1[CH2:73][CH2:74][CH2:75][C:76]1=[O:77].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:54].[F:10][C:11]([C:12]([CH3:13])([CH3:14])[c:15]1[n:16][c:17]2[c:22]([cH:23][cH:24]1)[CH2:21][CH:20]([C:25](=[O:26])[OH:27])[CH2:19][CH2:18]2)([F:28])[F:29].[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-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36]>>[F:10][C:11]([C:12]([CH3:13])([CH3:14])[c:15]1[n:16][c:17]2[c:22]([cH:23][cH:24]1)[CH2:21][CH:20]([C:25](=[O:27])[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])[CH2:19][CH2:18]2)([F:28])[F:29]

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-b577b1801d6b4eb0a032f804675445b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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