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

HRID 681296Notes

Reaction equation

HRID 681296 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].[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].[OH:42][C:43]([CH3:44])([CH3:45])[c:46]1[n:47][c:48]2[c:53]([cH:54][cH:55]1)[CH2:52][CH:51]([C:56](=[O:57])[OH:58])[CH2:50][CH2:49]2.[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:56]([CH:51]1[CH2:50][CH2:49][c:48]2[n:47][c:46]([C:43]([OH:42])([CH3:44])[CH3:45])[cH:55][cH:54][c:53]2[CH2:52]1)=[O:57]

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 581186092-(2-Hydroxypropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acidHCID 58118636N-[4-(1-amino-ethyl)-5-fluoro-2-methyl-phenyl]-methanesulfonamide

Product 1

HCID 123696582N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydroquinoline-6-carboxamide

Sources & evidence

ORD record
ord-a209b7a1ae7c45a097b84ac8c8bad877
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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