HRID1148415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID3283

Diethyl Ether

C4H10O

HCID8058

n-Hexane

C6H14

HCID8079

Cyclohexene

C6H10

结构：CC(C)n1nc(C(=O)c2ccc(OCc3ccccc3)cc2)c2cccc(C(F)(F)F)c21

HCID69061008

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1nc(C(=O)c2ccc(O)cc2)c2cccc(C(F)(F)F)c21

HCID11494004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05f30d0a661d47219bfe7ba72f10d237
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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