HRID122168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID241

Benzene

C6H6

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7638

4-(Benzyloxyl)phenol

C13H12O2

HCID8058

n-Hexane

C6H14

HCID30165

Iodide ion

I-

HCID3826051

未命名化合物

反应SMILES：COC(=O)C(Br)c1ccc(Oc2ccc(Cl)cc2)cc1

HCID20392594

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1

HCID12531853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ee4f47eeae604ef8b9876035fc654760
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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