HRID2159003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

2 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8078

Cyclohexane

C6H12

HCID8857

Ethyl acetate

C4H8O2

HCID287322

未命名化合物

HCID592570

4'-Chlorobiphenyl-4-carbaldehyde

C13H9ClO

PRODUCTS

产物

反应SMILES：CCC1(c2ccccc2)OC(c2ccc(-c3ccc(Cl)cc3)cc2)OC1=O

HCID12773762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-173f120af93b4a1681fee972e9bb0eea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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