HRID134657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID13594

2-Cyclohexen-1-one

C6H8O

HCID31275

1,4-Dioxane

C4H8O2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID2734314

4-Benzyloxyphenylboronic acid

C13H13BO3

PRODUCTS

生成物

HCID59464233

3-[4-(Phenylmethoxy)phenyl]cyclohexanone

C19H20O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8cd27622dab4252820601dc731564cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:64]1(=[O:70])[CH:65]=[CH:66][CH2:67][CH2:68][CH2:69]1.[C:71](=[O:72])([O-:73])[OH:74].[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]([B:15]([OH:16])[OH:17])[cH:13][cH:14]1.[Na+:75].[O:77]1[CH2:78][CH2:79][O:80][CH2:81][CH2:82]1.[OH2:76].[cH:18]1[cH:19][cH:20][c:21]([P:22]([c:23]2[cH:24][cH:25][c:26]3[c:27]([cH:28][cH:29][cH:30][cH:31]3)[c:32]2-[c:33]2[c:34]3[c:35]([cH:36][cH:37][cH:38][cH:39]3)[cH:40][cH:41][c:42]2[P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63]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]([CH:66]2[CH2:65][C:64](=[O:70])[CH2:69][CH2:68][CH2:67]2)[cH:13][cH:14]1