Dimethylformamide → N-(1-{4'-[3-Methyl-4-(5-(3-methyl-phenyl)-pyridin-3-ylamino)-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarbonyl)-methanesulfonamide

HRID 1115528Notes

Reaction equation

HRID 1115528 reaction equation
[CH3:1][c:2]1[n:3][o:4][c:5](-[c:21]2[cH:22][cH:23][c:24](-[c:27]3[cH:28][cH:29][c:30]([C:33]4([C:36](=[O:37])[OH:38])[CH2:34][CH2:35]4)[cH:31][cH:32]3)[cH:25][cH:26]2)[c:6]1[NH:7][c:8]1[cH:9][n:10][cH:11][c:12](-[c:14]2[cH:15][c:16]([CH3:20])[cH:17][cH:18][cH:19]2)[cH:13]1.[CH3:50][S:51](=[O:52])(=[O:53])[NH2:54].[CH3:67][N:68]([c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1)[CH3:75].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl:44][C:45]([C:46]([Cl:47])=[O:48])=[O:49].[Cl:64][CH2:65][Cl:66].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[CH3:1][c:2]1[n:3][o:4][c:5](-[c:21]2[cH:22][cH:23][c:24](-[c:27]3[cH:28][cH:29][c:30]([C:33]4([C:36](=[O:38])[NH:54][S:51]([CH3:50])(=[O:52])=[O:53])[CH2:34][CH2:35]4)[cH:31][cH:32]3)[cH:25][cH:26]2)[c:6]1[NH:7][c:8]1[cH:9][n:10][cH:11][c:12](-[c:14]2[cH:15][c:16]([CH3:20])[cH:17][cH:18][cH:19]2)[cH:13]1

Participants

9

Reactant 8

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 65578Oxalyl chlorideHCID 72879MethanesulfonamideHCID 81531DiisopropylethylamineHCID 66558561HCID 66558561, compound

Product 1

HCID 70817168N-(1-{4'-[3-Methyl-4-(5-(3-methyl-phenyl)-pyridin-3-ylamino)-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarbonyl)-methanesulfonamide

Sources & evidence

ORD record
ord-1c07b8ee1931417aad11ec8792406509
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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