HRID86630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7295

Methyl chloroacetate

C3H5ClO2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：Nc1ncc(-c2cccc(O)c2)cc1-c1nc2ccccc2s1

HCID67520759

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1cccc(-c2cnc(N)c(-c3nc4ccccc4s3)c2)c1

HCID67520661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c7287aa37834f15a8665dbe81a22a68
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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