HRID2342797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

结构：CC(=O)OCC1OC(c2ccc(Cl)c(Cc3ccc(Br)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178475940

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(c2ccc(Cl)c(Cc3ccc(-c4ccc(C#N)cc4)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178475941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b05ae229fc64cd7b5cd6825c34bd150
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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