HRID88913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8058

n-Hexane

C6H14

HCID13831

Tributylphosphine

C12H27P

HCID73042

1,1′-(1,2-Diazenediyl)bis[1-(1-piperidinyl)methanone]

C12H20N4O2

HCID89719

Methyl (2-hydroxyphenyl)acetate

C9H10O3

结构：COc1cc(F)ccc1-c1ccc2c(c1CO)C(C)=CC(C)(C)N2

HCID58026847

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccccc1OCc1c(-c2ccc(F)cc2OC)ccc2c1C(C)=CC(C)(C)N2

HCID58026907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f406d172c1e64570a65e460b870ecc44
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

[CH2:37]([P:38]([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH3:49].[CH3:74][CH2:75][CH2:76][CH2:77][CH2:78][CH3:79].[F:1][c:2]1[cH:3][c:4]([O:23][CH3:24])[c:5](-[c:8]2[c:9]([CH2:21][OH:22])[c:10]3[c:15]([cH:16][cH:17]2)[NH:14][C:13]([CH3:18])([CH3:19])[CH:12]=[C:11]3[CH3:20])[cH:6][cH:7]1.[N:50]([C:51]([N:52]1[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1)=[O:58])=[N:59][C:60]([N:61]1[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1)=[O:67].[OH:25][c:26]1[c:27]([CH2:32][C:33](=[O:34])[O:35][CH3:36])[cH:28][cH:29][cH:30][cH:31]1.[cH:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[F:1][c:2]1[cH:3][c:4]([O:23][CH3:24])[c:5](-[c:8]2[c:9]([CH2:21][O:22][c:26]3[c:27]([CH2:32][C:33](=[O:34])[O:35][CH3:36])[cH:28][cH:29][cH:30][cH:31]3)[c:10]3[c:15]([cH:16][cH:17]2)[NH:14][C:13]([CH3:18])([CH3:19])[CH:12]=[C:11]3[CH3:20])[cH:6][cH:7]1