HRID285988

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID702

Ethanol

C2H6O

HCID19499

2-Butenoic acid

C4H6O2

结构：O=C(c1ccccc1)c1ccc(OCC(O)COc2ccc(C(=O)c3ccccc3)c(O)c2)cc1O

HCID1242235

[4-[3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-2-hydroxyphenyl]-phenylmethanone

C29H24O7

PRODUCTS

生成物

结构：CC=CC(=O)OC(COc1ccc(C(=O)c2ccccc2)c(O)c1)COc1ccc(C(=O)c2ccccc2)c(O)c1

HCID54018773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7339d03c6fce437697dc3a38a813d82b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([OH:36])[cH:11][c:12]([O:13][CH2:14][CH:15]([CH2:16][O:17][c:18]2[cH:19][c:20]([OH:32])[c:21]([C:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:31])[cH:22][cH:23]2)[OH:33])[cH:34][cH:35]1.[C:37]([CH:38]=[CH:39][CH3:40])(=[O:41])[OH:42].[CH2:43]([OH:44])[CH3:45].[CH3:46][C:47]([CH3:48])=[O:49]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([OH:36])[cH:11][c:12]([O:13][CH2:14][CH:15]([CH2:16][O:17][c:18]2[cH:19][c:20]([OH:32])[c:21]([C:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:31])[cH:22][cH:23]2)[O:33][C:37]([CH:38]=[CH:39][CH3:40])=[O:41])[cH:34][cH:35]1