HRID86929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID31275

1,4-Dioxane

C4H8O2

HCID2773500

Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

C14H19BO4

HCID20627957

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc3c(c2)CCC(CNC(=O)OC(C)(C)C)O3)cc1

HCID18761538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe4b7bd3a60a43018b787924b9d9d18f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]2)[O:19]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[I:20][c:21]1[cH:22][c:23]2[c:28]([cH:29][cH:30]1)[O:27][CH:26]([CH2:31][NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:25][CH2:24]2>>[c:9]1(-[c:21]2[cH:22][c:23]3[c:28]([cH:29][cH:30]2)[O:27][CH:26]([CH2:31][NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:25][CH2:24]3)[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]1