HRID2339820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13831

Tributylphosphine

C12H27P

HCID11791243

Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate

C13H18O4

HCID69796935

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccc(OCC=C(C)c2ccc(-c3cc(C(C)C)ccc3OC)cc2)cc1)OCC

HCID178471023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcc697039f454ba1b1ce09aa9596580a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:14]([CH3:15])[O:16][CH:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:23][c:24]1[cH:25][cH:26][c:27]([OH:30])[cH:28][cH:29]1.[CH2:1]([P:2]([CH2:3][CH2:4][CH2:5][CH3:6])[CH2:7][CH2:8][CH2:9][CH3:10])[CH2:11][CH2:12][CH3:13].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH:31]([CH3:32])([CH3:33])[c:34]1[cH:35][cH:36][c:37]([O:51][CH3:52])[c:38](-[c:40]2[cH:41][cH:42][c:43]([C:46](=[CH:47][CH2:48][OH:49])[CH3:50])[cH:44][cH:45]2)[cH:39]1.[OH2:59].[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH2:14]([CH3:15])[O:16][CH:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:23][c:24]1[cH:25][cH:26][c:27]([O:30][CH2:48][CH:47]=[C:46]([c:43]2[cH:42][cH:41][c:40](-[c:38]3[c:37]([O:51][CH3:52])[cH:36][cH:35][c:34]([CH:31]([CH3:32])[CH3:33])[cH:39]3)[cH:45][cH:44]2)[CH3:50])[cH:28][cH:29]1