HRID304372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)N(C(=O)CN1C(=O)C(Cc2nn(C(=O)OC(C)(C)C)c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21)c1ccccc1

HCID69314041

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21)c1ccccc1

HCID178457883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64b73cf03a774bfeb8cc0b056e788bbf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[n:8]1[n:9][c:10]([CH2:17][CH:18]2[C:19](=[O:51])[N:20]([CH2:38][C:39]([N:40]([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH:47]([CH3:48])[CH3:49])=[O:50])[c:21]3[c:22]([cH:34][cH:35][cH:36][cH:37]3)-[n:23]3[c:24](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:25][n:26][c:27]32)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12)([CH3:5])([CH3:6])[CH3:7].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[ClH:52].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1>>[nH:8]1[n:9][c:10]([CH2:17][CH:18]2[C:19](=[O:51])[N:20]([CH2:38][C:39]([N:40]([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH:47]([CH3:48])[CH3:49])=[O:50])[c:21]3[c:22]([cH:34][cH:35][cH:36][cH:37]3)-[n:23]3[c:24](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:25][n:26][c:27]32)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12