HRID1536896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID3858049

未命名化合物

HCID14932945

3-(Chloromethyl)-2-methoxypyridine

C7H8ClNO

PRODUCTS

生成物

结构：COc1ncccc1CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O

HCID68517072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c964ee76ead1440ab8ed0942702ee13d
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

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