Hydrochloric Acid → N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2H-chromene-3-carboxamide

HRID 296461Notes

Reaction equation

HRID 296461 reaction equation
[CH3:38][N+:39]([CH3:40])=[C:41]([N:42]([CH3:43])[CH3:44])[O:45][n:46]1[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[ClH:14].[NH2:15][CH:16]([CH3:17])[c:18]1[cH:19][c:20]([CH3:30])[c:21]([NH:25][S:26](=[O:27])(=[O:28])[CH3:29])[cH:22][c:23]1[F:24].[O:1]1[CH2:2][C:3]([C:11](=[O:12])[OH:13])=[CH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37]>>[O:1]1[CH2:2][C:3]([C:11](=[O:13])[NH:15][CH:16]([CH3:17])[c:18]2[cH:19][c:20]([CH3:30])[c:21]([NH:25][S:26](=[O:27])(=[O:28])[CH3:29])[cH:22][c:23]2[F:24])=[CH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 3223042H-chromene-3-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58118636N-[4-(1-amino-ethyl)-5-fluoro-2-methyl-phenyl]-methanesulfonamide

Product 1

HCID 66906247N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2H-chromene-3-carboxamide

Sources & evidence

ORD record
ord-a020f4c53a494018b39aad6c85c6e7cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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