HRID94172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(Cl)c(-c3ccc(CC)cc3)cc12

HCID22319548

N-[6-chloro-5-(4-ethylphenyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]butanamide

C25H34ClN3O2Si

PRODUCTS

生成物

结构：CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(CC)cc3)cc12

HCID22319598

N-(6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl)butyramide

C19H20ClN3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43c1605f610d4f37a5d97715f7382e2c
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

[CH3:2][CH2:3][CH2:4][CH2:5][N+:6]([CH2:7][CH2:8][CH2:9][CH3:10])([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:19][c:20]1[c:21](-[c:43]2[cH:44][cH:45][c:46]([CH2:49][CH3:50])[cH:47][cH:48]2)[cH:22][c:23]2[c:24]([NH:37][C:38]([CH2:39][CH2:40][CH3:41])=[O:42])[n:25][n:26]([CH2:29][O:30][CH2:31][CH2:32][Si:33]([CH3:34])([CH3:35])[CH3:36])[c:27]2[cH:28]1.[F-:1].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[Cl:19][c:20]1[c:21](-[c:43]2[cH:44][cH:45][c:46]([CH2:49][CH3:50])[cH:47][cH:48]2)[cH:22][c:23]2[c:24]([NH:37][C:38]([CH2:39][CH2:40][CH3:41])=[O:42])[n:25][nH:26][c:27]2[cH:28]1