HRID687273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8021

Diethylamine

C4H11N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID24290

未命名化合物

HCID24350

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

CuI

HCID221126

2-iodo-pyridine

C5H4IN

HCID2779072

4-[(2-Methylbut-3-yn-2-yl)oxy]benzonitrile

C12H11NO

PRODUCTS

生成物

HCID15732962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5feb78c357fa4888ab43e698702465c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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