HRID1148808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID83717

Copper iodide (CuI2)

CuI2

HCID565844

2-chloro-n-prop-2-ynylacetamide

C5H6ClNO

HCID11173809

4-Chloro-6-iodoquinazoline

C8H4ClIN2

PRODUCTS

生成物

HCID22484315

2-Chloro-N-[3-(4-chloroquinazolin-6-yl)prop-2-yn-1-yl]acetamide

C13H9Cl2N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ea3c2f5a6f942fd9f88b0cca57ffe7e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1.[CH:21]([NH:22][CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][CH2:6][C:7]#[CH:8].[Cl:9][c:10]1[n:11][cH:12][n:13][c:14]2[cH:15][cH:16][c:17]([I:20])[cH:18][c:19]12.[Cu:33]([I:34])[I:35].[Pd:36]([Cl:37])[Cl:38].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[Cl:1][CH2:2][C:3](=[O:4])[NH:5][CH2:6][C:7]#[C:8][c:17]1[cH:16][cH:15][c:14]2[n:13][cH:12][n:11][c:10]([Cl:9])[c:19]2[cH:18]1