HRID1573142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC1=C(C(=O)O)C(c2ccc(C(F)(F)F)cc2)NC(=O)N1

HCID53482105

6-Methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

C13H11F3N2O3

HCID69067693

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)Nc2ccc3[nH]nc(Nc4cc(F)cc(F)c4)c3c2)C(c2ccc(C(F)(F)F)cc2)NC(=O)N1

HCID57755825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a7551e0026948e79cc27c570f945850
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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