HRID301024

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID15789384

(2-Fluoro-4-methoxyphenyl)boronic acid

C7H8BFO3

结构：CCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1Cl

HCID86674712

未命名化合物

PRODUCTS

生成物

结构：CCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1-c1ccc(OC)cc1F

HCID67258368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea008f31b47b415fbfb6d72d0fb9254c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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