HRID693170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID702

Ethanol

C2H6O

HCID2734657

4-Acetamidophenylboronic acid

C8H10BNO3

结构：O=C(Nc1ccc(Br)cc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl

HCID59240027

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(-c2ccc(NC(=O)c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1

HCID59240197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10598c45991f47a099d9637fb5ffc807
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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