HRID1571147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID15458

tert-Butyl acrylate

C7H12O2

HCID24290

未命名化合物

HCID259091

Ethyl 5-bromo-1H-indole-2-carboxylate

C11H10BrNO2

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(C=CC(=O)OC(C)(C)C)ccc2[nH]1

HCID69587126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb99070e989d4694a35b3993f28e8aa2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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