HRID155139

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-

HCID10443409

未命名化合物

HCID21472043

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

HCID21471793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d77e905bdc6a4cda99066601a9ce8da7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([c:10]([CH2:16][CH3:17])[c:11]([CH2:13][CH2:14][Cl:15])[s:12]2)[CH2:8][CH2:9]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[ClH:18].[F:19][c:20]1[cH:21][cH:22][c:23]2[c:24]([o:25][cH:26][c:27]2[CH:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:34]1.[I-:42].[K+:39].[K+:40].[K+:41].[OH2:55]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([c:10]([CH2:16][CH3:17])[c:11]([CH2:13][CH2:14][N:31]3[CH2:30][CH2:29][CH:28]([c:27]4[c:23]5[cH:22][cH:21][c:20]([F:19])[cH:34][c:24]5[o:25][cH:26]4)[CH2:33][CH2:32]3)[s:12]2)[CH2:8][CH2:9]1.[ClH:15]