HRID1202244

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

HCID4113

Methoxyamine

CH5NO

HCID8857

Ethyl acetate

C4H8O2

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

HCID136052251

未命名化合物

PRODUCTS

生成物

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

HCID136348341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c10393098c6428abf3d0dbd8afc7e3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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