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

HRID 106956Notes

Reaction equation

HRID 106956 reaction equation
[C:18]([CH3:19])(=[O:20])[c:21]1[n:22][c:23]2[c:28]([cH:29][cH:30]1)[CH2:27][CH:26]([C:31](=[O:32])[OH:33])[CH2:25][CH2:24]2.[CH3:41][N+:42]([CH3:43])=[C:44]([N:45]([CH3:46])[CH3:47])[O:48][n:49]1[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1.[CH3:58][N:59]1[CH2:60][CH2:61][CH2:62][C:63]1=[O:64].[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[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].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40]>>[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:31]([CH:26]1[CH2:25][CH2:24][c:23]2[n:22][c:21]([C:18]([CH3:19])=[O:20])[cH:30][cH:29][c:28]2[CH2:27]1)=[O:32]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 581186172-Acetyl-5,6,7,8-tetrahydroquinoline-6-carboxylic acidHCID 58118636N-[4-(1-amino-ethyl)-5-fluoro-2-methyl-phenyl]-methanesulfonamide

Product 1

HCID 1239220012-acetyl-N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-5,6,7,8-tetrahydroquinoline-6-carboxamide

Sources & evidence

ORD record
ord-d4b9915409454802a59a9276abc182a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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