HRID1126811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6362

2-Iodopropane

C3H7I

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID23994

Zinc

HCID24290

未命名化合物

结构：CCCP(=O)(CCC)c1ccc(Nc2nc(I)nc3c2ncn3C2CCCCO2)cc1

HCID86631259

未命名化合物

PRODUCTS

生成物

结构：CCCP(=O)(CCC)c1ccc(Nc2nc(C(C)C)nc3c2ncn3C2CCCCO2)cc1

HCID68928723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c57f62758ed04e77835bbac77994126c
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

[CH2:5]([CH2:6][CH3:7])[P:8](=[O:9])([CH2:10][CH2:11][CH3:12])[c:13]1[cH:14][cH:15][c:16]([NH:19][c:20]2[c:21]3[n:22][cH:23][n:24]([CH:30]4[O:31][CH2:32][CH2:33][CH2:34][CH2:35]4)[c:25]3[n:26][c:27]([I:29])[n:28]2)[cH:17][cH:18]1.[CH:1]([CH3:2])([CH3:3])[I:4].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:36].[Pd:43]([Cl:44])[Cl:45].[Zn:42].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[CH:1]([CH3:2])([CH3:3])[c:27]1[n:26][c:25]2[c:21]([c:20]([NH:19][c:16]3[cH:15][cH:14][c:13]([P:8]([CH2:5][CH2:6][CH3:7])(=[O:9])[CH2:10][CH2:11][CH3:12])[cH:18][cH:17]3)[n:28]1)[n:22][cH:23][n:24]2[CH:30]1[O:31][CH2:32][CH2:33][CH2:34][CH2:35]1