HRID1229866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID13094262

1-Chloro-4-(chloromethyl)-2-(trifluoromethyl)benzene

C8H5Cl2F3

HCID19381871

tert-Butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate

C16H23NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1

HCID68813008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4525c6a0d8244cfb32a8d88bd197f08
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

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