HRID2152723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID141917

2-(Bromomethyl)tetrahydro-2H-pyran

C6H11BrO

HCID166653

Hydride

H-

结构：Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2[nH]ncc2c1

HCID10403067

N-Cyclopropyl-3-fluoro-5-(1H-indazol-5-yl)-4-methylbenzamide

C18H16FN3O

PRODUCTS

生成物

结构：Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2CC2CCCCO2)c1

HCID11292707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-945befbdec0d46cba1a37e35c7bbbf17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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