Pyridine → N-[4-(2-dimethylaminomethyl-imidazol-1-yl)-2-fluorophenyl]-2-(2-fluorophenyl)-2-(4-chlorophenylaminocarbonylamino)-acetamide

HRID 197906Notes

Reaction equation

HRID 197906 reaction equation
[CH3:23][N:24]([CH3:25])[CH2:26][c:27]1[n:28](-[c:32]2[cH:33][c:34]([F:39])[c:35]([NH2:38])[cH:36][cH:37]2)[cH:29][cH:30][n:31]1.[F:1][c:2]1[c:3]([CH:8]([C:9](=[O:10])[OH:11])[NH:12][C:13](=[O:14])[NH:15][c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[cH:4][cH:5][cH:6][cH:7]1.[P:40]([Cl:41])([Cl:42])([Cl:43])=[O:44].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[F:1][c:2]1[c:3]([CH:8]([C:9](=[O:11])[NH:38][c:35]2[c:34]([F:39])[cH:33][c:32](-[n:28]3[c:27]([CH2:26][N:24]([CH3:23])[CH3:25])[n:31][cH:30][cH:29]3)[cH:37][cH:36]2)[NH:12][C:13](=[O:14])[NH:15][c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 1049PyridineHCID 24813Phosphorus oxychlorideHCID 98780134-(2-Dimethylaminomethyl-imidazol-1-YL)-2-fluoro-phenylamineHCID 686957412-(2-Fluorophenyl)-2-(4-chlorophenylaminocarbonylamino)-acetic acid

Product 1

HCID 11671074N-[4-(2-dimethylaminomethyl-imidazol-1-yl)-2-fluorophenyl]-2-(2-fluorophenyl)-2-(4-chlorophenylaminocarbonylamino)-acetamide

Sources & evidence

ORD record
ord-f195ea5be7e34a8793f6d7da78fe50c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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