Water → 6-[2-(3-Methyl-ureido)-pyrimidin-4-yloxy]-naphthalene-1-carboxylic acid (4-fluoro-3-trifluoromethyl-phenyl)-amide

HRID 1126233Notes

Reaction equation

HRID 1126233 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:1][N:2]=[C:3]=[O:4].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[F:5][c:6]1[c:7]([C:33]([F:34])([F:35])[F:36])[cH:8][c:9]([NH:12][C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][c:19]3[cH:20][c:21]([O:25][c:26]4[n:27][c:28]([NH2:32])[n:29][cH:30][cH:31]4)[cH:22][cH:23][c:24]23)[cH:10][cH:11]1.[OH2:48]>>[CH3:1][NH:2][C:3](=[O:4])[NH:32][c:28]1[n:27][c:26]([O:25][c:21]2[cH:20][c:19]3[cH:18][cH:17][cH:16][c:15]([C:13]([NH:12][c:9]4[cH:8][c:7]([C:33]([F:34])([F:35])[F:36])[c:6]([F:5])[cH:11][cH:10]4)=[O:14])[c:24]3[cH:23][cH:22]2)[cH:31][cH:30][n:29]1

Participants

6

Reactant 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 12228Methyl IsocyanateHCID 160715501-Naphthalenecarboxamide, 6-[(2-amino-4-pyrimidinyl)oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-

Product 1

HCID 236528656-[2-(3-Methyl-ureido)-pyrimidin-4-yloxy]-naphthalene-1-carboxylic acid (4-fluoro-3-trifluoromethyl-phenyl)-amide

Sources & evidence

ORD record
ord-3bdf6f8a47dd48fb988da762c3902caa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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