HRID199427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8019

2-Methoxyethanol

C3H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID57853830

未命名化合物

HCID86633873

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cccc(Cl)c1Nc1nc(Nc2ccc3c(c2)C(C)(C)CCC(=O)N3)ncc1Cl

HCID53325517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d73513b4d2d740b2926f2200c5730052
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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