HRID110814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID2794755

5-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE

C12H13FN2O

HCID21471935

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCc2c(sc(C)c2CCN2CCC(c3noc4ccc(F)cc34)CC2)C1

HCID21472034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74d76e0a4b7e471f9a4344eff6dfa3c1
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

[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.[ClH:17].[F:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([c:24]([CH:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[n:25][o:26]2)[cH:33]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:30]3[CH2:29][CH2:28][CH:27]([c:24]4[c:23]5[c:22]([cH:21][cH:20][c:19]([F:18])[cH:33]5)[o:26][n:25]4)[CH2:32][CH2:31]3)[c:11]([CH3:13])[s:12]2)[CH2:8][CH2:9]1