HRID2339561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID5017741

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C9H19BO3

HCID58525266

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COC(=O)c1sc(B2OC(C)(C)C(C)(C)O2)cc1OC(C)c1ccccc1Cl

HCID58970492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85af19b73d05418eafb4d009cc414d57
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

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