Dimethylformamide → 4-[6-(4-Methanesulfonyl-phenylamino)-5-nitro-pyrimidin-4-yloxy]-piperidine-1-carboxylic Acid 2-isopropyl-5-methyl-cyclohexyl Ester

HRID 2316596Notes

Reaction equation

HRID 2316596 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[n:13][cH:14][n:15][c:16]([O:21][CH:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[c:17]2[N+:18](=[O:19])[O-:20])[cH:9][cH:10]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:35][C:36](=[O:37])[O:38][CH:39]1[CH2:40][CH:41]([CH3:48])[CH2:42][CH2:43][CH:44]1[CH:45]([CH3:46])[CH3:47].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[n:13][cH:14][n:15][c:16]([O:21][CH:22]3[CH2:23][CH2:24][N:25]([C:36](=[O:37])[O:38][CH:39]4[CH2:40][CH:41]([CH3:48])[CH2:42][CH2:43][CH:44]4[CH:45]([CH3:46])[CH3:47])[CH2:26][CH2:27]3)[c:17]2[N+:18](=[O:19])[O-:20])[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 151928Menthyl chloroformateHCID 11257886(4-Methanesulfonyl-phenyl)-[5-nitro-6-(piperidin-4-yloxy)-pyrimidin-4-yl]-amine

Product 1

HCID 666738884-[6-(4-Methanesulfonyl-phenylamino)-5-nitro-pyrimidin-4-yloxy]-piperidine-1-carboxylic Acid 2-isopropyl-5-methyl-cyclohexyl Ester

Sources & evidence

ORD record
ord-6a35c1d69b514c14a6fc9bf85cde9d39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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