HRID2147025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID142938

2,4-Dichlorophenethylamine

C8H9Cl2N

结构：COc1nc(Cl)cc(-c2ccc3nc(NC(C)=O)sc3c2)n1

HCID86240110

N-[6-(6-Chloro-2-methoxy-4-pyrimidinyl)-2-benzothiazolyl]acetamide

C14H11ClN4O2S

PRODUCTS

生成物

结构：COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2ccc3nc(NC(C)=O)sc3c2)n1

HCID57636024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0505ecf1a0ce4a65a0c316c41eb64ad2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:41][N:42]1[CH2:43][CH2:44][CH2:45][C:46]1=[O:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][OH:55].[Cl:1][c:2]1[cH:3][c:4](-[c:10]2[cH:11][c:12]3[c:13]([n:14][c:15]([NH:17][C:18]([CH3:19])=[O:20])[s:16]3)[cH:21][cH:22]2)[n:5][c:6]([O:8][CH3:9])[n:7]1.[Cl:23][c:24]1[c:25]([CH2:31][CH2:32][NH2:33])[cH:26][cH:27][c:28]([Cl:30])[cH:29]1.[K+:34].[K+:35].[O-:36][C:37]([O-:38])=[O:39].[OH2:40]>>[c:2]1([NH:33][CH2:32][CH2:31][c:25]2[c:24]([Cl:23])[cH:29][c:28]([Cl:30])[cH:27][cH:26]2)[cH:3][c:4](-[c:10]2[cH:11][c:12]3[c:13]([n:14][c:15]([NH:17][C:18]([CH3:19])=[O:20])[s:16]3)[cH:21][cH:22]2)[n:5][c:6]([O:8][CH3:9])[n:7]1