HRID2144927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6568

2-Butanol

C4H10O

HCID70943

4,6-Dichloropyrimidine

C4H2Cl2N2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncc[nH]1

HCID58973096

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nccn1-c1cc(Cl)ncn1

HCID58973058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-662cc34f6e944b9e8c89c80cffad6b4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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