HRID298895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734620

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C12H18BNO2

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(N)cc4)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178475945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62047be367dc42bdaf677c23c459e09a
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])(=[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].[CH3:38][C:39]1([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44][B:45]([c:46]2[cH:47][cH:48][c:49]([NH2:50])[cH:51][cH:52]2)[O:53]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:46]4[cH:47][cH:48][c:49]([NH2:50])[cH:51][cH:52]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]