HRID174556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6362

2-Iodopropane

C3H7I

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID23994

Zinc

HCID24290

未命名化合物

HCID30165

Iodide ion

I-

结构：C=Cn1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(I)nc21

HCID86631263

未命名化合物

HCID178461825

未命名化合物

PRODUCTS

生成物

结构：C=Cn1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(C(C)C)nc21

HCID68926097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b887b8f38a874f03a08a8e1512ef1150
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:5][P:6](=[O:7])([CH3:8])[c:9]1[cH:10][cH:11][c:12]([NH:15][c:16]2[c:17]3[n:18][cH:19][n:20]([CH:26]=[CH2:27])[c:21]3[n:22][c:23]([I:25])[n:24]2)[cH:13][cH:14]1.[CH:1]([CH3:2])([CH3:3])[I:4].[CH:29]([Zn+:30])([CH3:31])[CH3:32].[I-:28].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[Pd:49]([Cl:50])[Cl:51].[Zn:43].[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1>>[CH:1]([CH3:2])([CH3:3])[c:23]1[n:22][c:21]2[c:17]([c:16]([NH:15][c:12]3[cH:11][cH:10][c:9]([P:6]([CH3:5])(=[O:7])[CH3:8])[cH:14][cH:13]3)[n:24]1)[n:18][cH:19][n:20]2[CH:26]=[CH2:27]