HRID153578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734341

2,4-Dimethoxyphenylboronic acid

C8H11BO4

结构：CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1c2ccccc2CC1O

HCID22147227

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1NC1c2ccccc2CC1O

HCID22147280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6b44a7de0274cc29c57dfc7dc6babb9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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