HRID100918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

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

HCID14025440

N-(Prop-2-yn-1-yl)methanesulfonamide

C4H7NO2S

结构：CC(=O)Oc1ccc(C2C(CCC(OC(C)=O)c3ccc(F)cc3)C(=O)N2c2ccc(I)cc2)cc1

HCID72264959

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1ccc(C2C(CCC(OC(C)=O)c3ccc(F)cc3)C(=O)N2c2ccc(C#CCNS(C)(=O)=O)cc2)cc1

HCID72263435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98f6147c27db4c7f858b885b1cf556b5
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

[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[N:12]([c:30]3[cH:31][cH:32][c:33]([I:36])[cH:34][cH:35]3)[C:13](=[O:29])[CH:14]2[CH2:15][CH2:16][CH:17]([c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[O:25][C:26]([CH3:27])=[O:28])[cH:9][cH:10]1.[CH2:37]([C:38]#[CH:39])[NH:40][S:41](=[O:42])(=[O:43])[CH3:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cu:98][I:99].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[Pd:57]([Cl:58])[Cl:59].[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[N:12]([c:30]3[cH:31][cH:32][c:33]([C:39]#[C:38][CH2:37][NH:40][S:41](=[O:42])(=[O:43])[CH3:44])[cH:34][cH:35]3)[C:13](=[O:29])[CH:14]2[CH2:15][CH2:16][CH:17]([c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[O:25][C:26]([CH3:27])=[O:28])[cH:9][cH:10]1