Water → 6-(2-Methanesulfonylamino-pyrimidin-4-yloxy)-naphthalene-1-carboxylic acid (4-fluoro-3-trifluoromethyl-Phenyl)-amide

HRID 2160720Notes

Reaction equation

HRID 2160720 reaction equation
[CH3:1][S:2](=[O:3])([O:5][S:4]([CH3:6])(=[O:7])=[O:8])=[O:9].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cl:42][CH2:43][Cl:44].[F:10][c:11]1[c:12]([C:38]([F:39])([F:40])[F:41])[cH:13][c:14]([NH:17][C:18](=[O:19])[c:20]2[cH:21][cH:22][cH:23][c:24]3[cH:25][c:26]([O:30][c:31]4[n:32][c:33]([NH2:37])[n:34][cH:35][cH:36]4)[cH:27][cH:28][c:29]23)[cH:15][cH:16]1.[OH2:57].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[CH3:1][S:2](=[O:3])(=[O:5])[NH:37][c:33]1[n:32][c:31]([O:30][c:26]2[cH:25][c:24]3[cH:23][cH:22][cH:21][c:20]([C:18]([NH:17][c:14]4[cH:13][c:12]([C:38]([F:39])([F:40])[F:41])[c:11]([F:10])[cH:16][cH:15]4)=[O:19])[c:29]3[cH:28][cH:27]2)[cH:36][cH:35][n:34]1

Participants

7

Reactant 6

HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 81560Methanesulfonic anhydrideHCID 160715501-Naphthalenecarboxamide, 6-[(2-amino-4-pyrimidinyl)oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-

Product 1

HCID 236528646-(2-Methanesulfonylamino-pyrimidin-4-yloxy)-naphthalene-1-carboxylic acid (4-fluoro-3-trifluoromethyl-Phenyl)-amide

Sources & evidence

ORD record
ord-c439bbc8a38e4b2c88047f8944d1822a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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