HRID1124383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID87074

Cyclopentanol, 1-ethynyl-

C7H10O

HCID19830659

未命名化合物

PRODUCTS

生成物

结构：CN1Cc2c(C#CC3(O)CCCC3)ncn2-c2cccc(Cl)c2C1=O

HCID19851527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-913ecb82da8b4007aab9e4501a2523dc
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

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