HRID309879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2795311

1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C12H21BN2O2

结构：CC(=O)OC1CSC(Oc2cccc(Br)c2)C(OC(C)=O)C1OC(C)=O

HCID178475671

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1CSC(Oc2cccc(-c3c(C)nn(C)c3C)c2)C(OC(C)=O)C1OC(C)=O

HCID178475687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f4c338a992a4d55bad8fbacb66b02e5
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]([O:7][c:8]2[cH:9][c:10]([Br:14])[cH:11][cH:12][cH:13]2)[S:15][CH2:16][CH:17]([O:23][C:24]([CH3:25])=[O:26])[CH:18]1[O:19][C:20]([CH3:21])=[O:22].[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[c:36]([CH3:42])[n:37][n:38]([CH3:41])[c:39]2[CH3:40])[O:43]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:7][c:8]2[cH:9][c:10](-[c:35]3[c:36]([CH3:42])[n:37][n:38]([CH3:41])[c:39]3[CH3:40])[cH:11][cH:12][cH:13]2)[S:15][CH2:16][CH:17]([O:23][C:24]([CH3:25])=[O:26])[CH:18]1[O:19][C:20]([CH3:21])=[O:22]