HRID1146351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734087

2-Bromo-4-methylpyridine

C6H6BrN

结构：CCNC(=O)Nc1nc2cc(OCc3ccccc3)cc(Br)c2s1

HCID57813629

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1nc2cc(OCc3ccccc3)cc(-c3cc(C)ccn3)c2s1

HCID57813560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6be3ad5050045669cfcd290df57388c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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