HRID203351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID57416848

5-Ethenyl-2-(trifluoromethyl)pyridine

C8H6F3N

HCID68756308

未命名化合物

PRODUCTS

生成物

结构：OC1CCC(N2CCc3c(c4cc(Cl)ccc4n3CCc3ccc(C(F)(F)F)nc3)C2)C1

HCID57875872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38ef9c292ac44a3987f13b789f55a589
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

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