Chloride → 3-Chloro-4-(2-fluoro-4-(1-(4-fluorophenyl)-4-iodo-2-oxo-1,2-dihydropyridine-3-carboxamido)phenoxy)picolinamide

HRID 685720Notes

Reaction equation

HRID 685720 reaction equation
[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl-:51].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](=[O:18])[c:10]([C:15](=[O:16])[OH:17])[c:11]([I:14])[cH:12][cH:13]2)[cH:6][cH:7]1.[NH2:23][c:24]1[cH:25][c:26]([F:41])[c:27]([O:28][c:29]2[c:30]([Cl:38])[c:31]([C:35](=[O:36])[NH2:37])[n:32][cH:33][cH:34]2)[cH:39][cH:40]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[S:19]([Cl:20])([Cl:21])=[O:22]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](=[O:18])[c:10]([C:15](=[O:17])[NH:23][c:24]3[cH:25][c:26]([F:41])[c:27]([O:28][c:29]4[c:30]([Cl:38])[c:31]([C:35](=[O:36])[NH2:37])[n:32][cH:33][cH:34]4)[cH:39][cH:40]3)[c:11]([I:14])[cH:12][cH:13]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 1140TolueneHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 81531DiisopropylethylamineHCID 252319754-(4-Amino-2-fluorophenoxy)-3-chloropicolinamideHCID 595946501-(4-Fluorophenyl)-4-iodo-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Product 1

HCID 595946493-Chloro-4-(2-fluoro-4-(1-(4-fluorophenyl)-4-iodo-2-oxo-1,2-dihydropyridine-3-carboxamido)phenoxy)picolinamide

Sources & evidence

ORD record
ord-7d6a8b607c6d46ae8db2f46968ddfd9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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