HRID125643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8021

Diethylamine

C4H11N

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

HCID585995

1-Chloro-2-ethynylbenzene

C8H5Cl

HCID19830685

未命名化合物

PRODUCTS

生成物

结构：CN1Cc2c(C#Cc3ccccc3Cl)ncn2-c2ccc(F)cc2C1=O

HCID19851520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8c3a8054489428ba1b1d0ff63d42d82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:28]([NH:29][CH2:30][CH3:31])[CH3:32].[CH2:33]([Cl:34])[Cl:35].[Cl:19][c:20]1[c:21]([C:26]#[CH:27])[cH:22][cH:23][cH:24][cH:25]1.[Cu:77][I:78].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[C:7](=[O:17])[N:8]([CH3:16])[CH2:9][c:10]1[n:11]-2[cH:12][n:13][c:14]1[I:15].[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>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[C:7](=[O:17])[N:8]([CH3:16])[CH2:9][c:10]1[n:11]-2[cH:12][n:13][c:14]1[C:27]#[C:26][c:21]1[c:20]([Cl:19])[cH:25][cH:24][cH:23][cH:22]1