HRID120149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8058

n-Hexane

C6H14

HCID28486

Lithium ion

Li+

HCID302932

2,3,4-Trifluorobenzoic acid

C7H3F3O2

HCID3280088

未命名化合物

HCID22025635

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccc(F)c(F)c1Nc1ccc(C#CCCOC2CCCCO2)cc1F

HCID22025642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b42b70ea7334689af2d75c91e7a3813
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

[CH3:33][Si:34]([N-:35][Si:36]([CH3:37])([CH3:38])[CH3:39])([CH3:40])[CH3:41].[CH3:42][CH2:43][O:44][CH2:45][CH3:46].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[F:13][c:14]1[c:15]([NH2:16])[cH:17][cH:18][c:19]([C:21]#[C:22][CH2:23][CH2:24][O:25][CH:26]2[O:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:20]1.[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([F:12])[c:10]1[F:11].[Li+:32]>>[c:2]1([NH:16][c:15]2[c:14]([F:13])[cH:20][c:19]([C:21]#[C:22][CH2:23][CH2:24][O:25][CH:26]3[O:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[cH:18][cH:17]2)[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([F:12])[c:10]1[F:11]