HRID1231348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID14032608

6-Fluoro-1-methyl-3-(piperidin-4-yl)-1H-indazole

C13H16FN3

HCID21471935

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCc2c(sc(C)c2CCN2CCC(c3nn(C)c4cc(F)ccc34)CC2)C1

HCID19438818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0dcb5c11e0e44003b36240f5fa1b9b79
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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