HRID297557

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

结构：COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1

HCID58464478

Benzeneacetic acid, 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester

C15H20BClO4

PRODUCTS

生成物

结构：COC(=O)C(C)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1

HCID59627648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f574d9a3fca64bb789870dd3d2761878
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

[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:1][Si:2]([N-:3][Si:4]([CH3:5])([CH3:6])[CH3:7])([CH3:8])[CH3:9].[CH3:32][I:33].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl-:34].[Cl:11][c:12]1[cH:13][c:14]([CH2:27][C:28](=[O:29])[O:30][CH3:31])[cH:15][cH:16][c:17]1[B:18]1[O:19][C:20]([CH3:25])([CH3:26])[C:21]([CH3:23])([CH3:24])[O:22]1.[Li+:10].[NH4+:35].[OH2:41]>>[Cl:11][c:12]1[cH:13][c:14]([CH:27]([C:28](=[O:29])[O:30][CH3:31])[CH3:32])[cH:15][cH:16][c:17]1[B:18]1[O:19][C:20]([CH3:25])([CH3:26])[C:21]([CH3:23])([CH3:24])[O:22]1