HRID1224970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8502

4-Nitrobenzoyl chloride

C7H4ClNO3

HCID178420554

未命名化合物

HCID178461628

未命名化合物

PRODUCTS

产物

HCID94726

1-Propanone, 1-(4-nitrophenyl)-

C9H9NO3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8a13c377ad1d4bccbbfcb64f4fa59242
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH2:17]1[O:18][CH2:19][CH2:20][CH2:21]1.[CH2:2]([CH3:3])[Mg+:4].[Cl-:1].[N+:5](=[O:6])([O-:7])[c:8]1[cH:9][cH:10][c:11]([C:12](=[O:13])[Cl:14])[cH:15][cH:16]1.[OH2:22].[cH:23]1[cH:24][cH:25][c:26]([P:27]([Pd:28]([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[cH:98][cH:99]1>>[CH2:2]([CH3:3])[C:12]([c:11]1[cH:10][cH:9][c:8]([N+:5](=[O:6])[O-:7])[cH:16][cH:15]1)=[O:13]