HRID702641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8821

Ethyl acrylate

C5H8O2

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

结构：Oc1ccc(C(=C2CCCCCC2)c2ccc(Br)cc2)cc1F

HCID68654280

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(C(=C2CCCCCC2)c2ccc(O)c(F)c2)cc1

HCID68975842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87ed526c14e14851ba25527b6b7b8937
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][c:11]([F:16])[c:12]([OH:15])[cH:13][cH:14]2)=[C:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:6][cH:7]1.[C:24]([CH:25]=[CH2:26])(=[O:27])[O:28][CH2:29][CH3:30].[CH3:78][CH2:79][O:80][C:81]([CH3:82])=[O:83].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[OH2:36].[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>>[c:2]1([CH:26]=[CH:25][C:24](=[O:27])[O:28][CH2:29][CH3:30])[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][c:11]([F:16])[c:12]([OH:15])[cH:13][cH:14]2)=[C:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:6][cH:7]1