HRID2133781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID8021

Diethylamine

C4H11N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID28179

Fluoride

F-

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID105144

Palladium(2+)

Pd+2

结构：COC(=O)C(CCSC)NC(=O)c1ccc(Br)cc1-c1ccccc1

HCID23436266

未命名化合物

PRODUCTS

生成物

结构：C#Cc1ccc(C(=O)NC(CCSC)C(=O)OC)c(-c2ccccc2)c1

HCID18361292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-330e97240d90419a8af94f5e1f283b4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:62]([O-:63])(=[O:64])[CH3:65].[C:66]([O-:67])(=[O:68])[CH3:69].[CH2:26]([CH3:27])[NH:28][CH2:29][CH3:30].[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9][c:10]([Br:13])[cH:11][cH:12]1)=[O:20])[CH2:21][CH2:22][S:23][CH3:24])=[O:25].[CH3:31][Si:32]([C:33]#[CH:34])([CH3:35])[CH3:36].[CH3:38][CH2:39][CH2:40][CH2:41][N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cu:109][I:110].[F-:37].[Pd+2:70].[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.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9][c:10]([C:26]#[CH:27])[cH:11][cH:12]1)=[O:20])[CH2:21][CH2:22][S:23][CH3:24])=[O:25]