HRID666773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID70272

4-Chloro-N-methylaniline

C7H8ClN

结构：COc1cc(Nc2nc(Cl)nc(OC(C)C)n2)ccc1-n1cnc(C)c1

HCID86640785

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2nc(OC(C)C)nc(N(C)c3ccc(Cl)cc3)n2)ccc1-n1cnc(C)c1

HCID45139098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e281898168964704b6e69a993cbe1d4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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