HRID2132247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID2801562

未命名化合物

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(cnn2CC2CN(Cc3ccccc3)CCO2)c1

HCID11249024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3d26e77789a4dd2be0759d45a194d25
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

[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[N:33]1[CH2:34][CH:35]([CH2:39][Cl:40])[O:36][CH2:37][CH2:38]1.[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.[H-:1].[Na+:2].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[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]([CH2:39][CH:35]5[CH2:34][N:33]([CH2:26][c:27]6[cH:28][cH:29][cH:30][cH:31][cH:32]6)[CH2:38][CH2:37][O:36]5)[c:20]4[cH:21][cH:22]3)[cH:13]2)=[O:25])[CH2:4][CH2:5]1