HRID98572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(C(=O)OC(C)(C)C)c4ccccc34)C(=O)N(c3cccs3)c3ccccc32)C(C)C)cc1

HCID86753590

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ccccc34)C(=O)N(c3cccs3)c3ccccc32)C(C)C)cc1

HCID178492385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-940ebe03831f4a8885a64a628a228a68
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:1]([O:2][C:3](=[O:4])[n:8]1[n:9][c:10]([CH2:17][CH:18]2[C:19](=[O:50])[N:20]([c:45]3[s:46][cH:47][cH:48][cH:49]3)[c:21]3[c:22]([cH:41][cH:42][cH:43][cH:44]3)[N:23]([CH2:26][C:27](=[O:28])[N:29]([c:30]3[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]3)[CH:38]([CH3:39])[CH3:40])[C:24]2=[O:25])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12)([CH3:5])([CH3:6])[CH3:7].[CH3:52][CH2:53][O:54][CH2:55][CH3:56].[ClH:51].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1>>[nH:8]1[n:9][c:10]([CH2:17][CH:18]2[C:19](=[O:50])[N:20]([c:45]3[s:46][cH:47][cH:48][cH:49]3)[c:21]3[c:22]([cH:41][cH:42][cH:43][cH:44]3)[N:23]([CH2:26][C:27](=[O:28])[N:29]([c:30]3[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]3)[CH:38]([CH3:39])[CH3:40])[C:24]2=[O:25])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12