HRID104942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID13512

3,3-Dimethylbutyne

C6H10

HCID24350

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

CuI

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID57356848

Methyl 5-bromo-3-[(tert-butoxycarbonyl)amino]thiophene-2-carboxylate

C11H14BrNO4S

PRODUCTS

生成物

结构：COC(=O)c1sc(C#CC(C)(C)C)cc1NC(=O)OC(C)(C)C

HCID24989345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6f327556ec144ddb3e35161b7f6586a
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:26]([CH3:27])([CH3:28])([CH3:29])[C:30]#[CH:31].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([Br:18])[cH:8][c:9]1[NH:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17].[Cl:83][CH2:84][Cl:85].[Cu:86][I:87].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[cH:32]1[cH:33][cH:34][c:35]([P:36]([c:37]2[cH:38][cH:39][c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[c:46]2-[c:47]2[c:48]3[c:49]([cH:50][cH:51][cH:52][cH:53]3)[cH:54][cH:55][c:56]2[P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:31]#[C:30][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:8][c:9]1[NH:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17]