HRID95834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7859

Propargyl alcohol

C3H4O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

结构：O=C(NCc1ccc(Cl)cc1)c1cnc2ccc(I)cn2c1=O

HCID22397248

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(Cl)cc1)c1cnc2ccc(C#CCO)cn2c1=O

HCID9947411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b452ef3b833e44c1a40c9476486117ae
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

[CH2:31]([C:32]#[CH:33])[OH:34].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][n:12][c:13]3[n:14]([c:15]2=[O:16])[cH:17][c:18]([I:21])[cH:19][cH:20]3)[cH:22][cH:23]1.[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][n:12][c:13]3[n:14]([c:15]2=[O:16])[cH:17][c:18]([C:33]#[C:32][CH2:31][OH:34])[cH:19][cH:20]3)[cH:22][cH:23]1