HRID160473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID59191972

4-Chloro-2-methoxy-6-methylbenzenamine

C8H10ClNO

结构：CC(C)N(c1ccc(Cl)cc1)c1cccc2nc(Cl)n(C)c12

HCID68582670

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(c3ccc(Cl)cc3)C(C)C)c2n1C

HCID58896465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc49539fc17a40559591a8349bfc2fac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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