HRID89292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID2768923

Hydroxylamine, O-(1-methylethyl)-

C3H9NO

结构：CCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c2s1

HCID135876065

未命名化合物

PRODUCTS

生成物

结构：CCc1cc2c(=O)n(CC(=NOC(C)C)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c2s1

HCID136052357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f992e79614ed4e81836297c94054f870
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

[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:24][c:25]3[cH:26][cH:27][c:28](-[c:31]4[c:32](-[c:37]5[n:38][o:39][c:40](=[O:42])[nH:41]5)[cH:33][cH:34][cH:35][cH:36]4)[cH:29][cH:30]3)[c:8](=[O:23])[n:9]([CH2:12][C:13](=[O:14])[c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]3)[c:10]2=[O:11])[s:43]1.[CH3:62][CH2:63][OH:64].[CH:58]([Cl:59])([Cl:60])[Cl:61].[ClH:44].[ClH:56].[NH2:45][O:46][CH:47]([CH3:48])[CH3:49].[OH2:57].[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:24][c:25]3[cH:26][cH:27][c:28](-[c:31]4[c:32](-[c:37]5[n:38][o:39][c:40](=[O:42])[nH:41]5)[cH:33][cH:34][cH:35][cH:36]4)[cH:29][cH:30]3)[c:8](=[O:23])[n:9]([CH2:12][C:13]([c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]3)=[N:45][O:46][CH:47]([CH3:48])[CH3:49])[c:10]2=[O:11])[s:43]1