HRID1126818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8821

Ethyl acrylate

C5H8O2

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

结构：CC1(C)CC(=C(c2ccc(Br)cc2)c2ccc(O)c(Cl)c2)CC(C)(C)O1

HCID68654427

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(C(=C2CC(C)(C)OC(C)(C)C2)c2ccc(O)c(Cl)c2)cc1

HCID68975588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-538c7d19665d4918b0b7f6d0a734333d
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:1][c:2]1[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][c:11]([Cl:16])[c:12]([OH:15])[cH:13][cH:14]2)=[C:17]2[CH2:18][C:19]([CH3:25])([CH3:26])[O:20][C:21]([CH3:23])([CH3:24])[CH2:22]2)[cH:6][cH:7]1.[C:27]([CH:28]=[CH2:29])(=[O:30])[O:31][CH2:32][CH3:33].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:87][CH2:88][O:89][C:90]([CH3:91])=[O:92].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:93].[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[c:2]1([CH:29]=[CH:28][C:27](=[O:30])[O:31][CH2:32][CH3:33])[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][c:11]([Cl:16])[c:12]([OH:15])[cH:13][cH:14]2)=[C:17]2[CH2:18][C:19]([CH3:25])([CH3:26])[O:20][C:21]([CH3:23])([CH3:24])[CH2:22]2)[cH:6][cH:7]1