HRID2137830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID4184066

未命名化合物

HCID13823547

1,3-Dichloro-5-ethynylbenzene

C8H4Cl2

PRODUCTS

生成物

HCID90947696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e361c3c5c6a44a5da17211294e8facd8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:11]([CH3:12])[O:13][C:14]([CH:15]=[CH:16][I:17])=[O:18].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[Cl:1][c:2]1[cH:3][c:4]([Cl:10])[cH:5][c:6]([C:8]#[CH:9])[cH:7]1.[Cu:68][I:69].[OH2:19].[Pd:27]([Cl:28])[Cl:29].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[Cl:1][c:2]1[cH:3][c:4]([Cl:10])[cH:5][c:6]([C:8]#[C:9][CH:16]=[CH:15][C:14]([O:13][CH2:11][CH3:12])=[O:18])[cH:7]1