HRID1117370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID30165

Iodide ion

I-

HCID58522016

未命名化合物

HCID67008440

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1C(=O)c2ccc(C#Cc3cc(Cl)ccc3OCC(=O)O)cc2S1(=O)=O

HCID46865414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f9d70a8448849c18f1072febb3bb82c
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

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