HRID1544542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate Ion

CO3-2

HCID30165

Iodide ion

I-

HCID849421

R-56109

C12H13FN2O

HCID21471935

未命名化合物

PRODUCTS

产物

HCID21471925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cb9302da408b4a78ae10ea19549cb4af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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][c:21]2[c:22]([c:23]([CH:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[n:24][o:25]2)[cH:32][cH:33]1.[I-:41].[K+:38].[K+:39].[K+:40].[OH2:54]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([c:10]([CH2:14][CH2:15][N:29]3[CH2:28][CH2:27][CH:26]([c:23]4[c:22]5[c:21]([cH:20][c:19]([F:18])[cH:33][cH:32]5)[o:25][n:24]4)[CH2:31][CH2:30]3)[c:11]([CH3:13])[s:12]2)[CH2:8][CH2:9]1