HRID211142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8110

Butyl isocyanate

C5H9NO

HCID8471

Triethylamine

C6H15N

结构：CCC(O)(c1ccc(O)cc1)c1cccc(C(F)(F)F)c1

HCID181876

4-{1-Hydroxy-1-[3-(trifluoromethyl)phenyl]propyl}phenol

C16H15F3O2

PRODUCTS

生成物

结构：CCCCNC(=O)Oc1ccc(C(O)(CC)c2cccc(C(F)(F)F)c2)cc1

HCID14727324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cff21885f5c940f88419c56a61a9e83a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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