HRID291453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID2773334

2-Chloro-4-methylphenylboronic acid

C7H8BClO2

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(C)cc1Cl

HCID67258410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bbc2d268f1b459fbcce90c308fc9f32
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:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:24][c:25]1[c:26]([B:32]([OH:33])[OH:34])[cH:27][cH:28][c:29]([CH3:31])[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]([Cl:24])[cH:30][c:29]([CH3:31])[cH:28][cH:27]2)[cH:23]1