HRID192361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8258

2-Methyl-3-butyn-2-ol

C5H8O

HCID11776

Triphenylphosphine

C18H15P

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID86617520

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C#CC(C)(C)O)cc(Cl)cc1NC(=O)OC(C)(C)C

HCID86617521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4b426bb08f94740a45c6ad7637bae80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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