HRID299812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID2768923

Hydroxylamine, O-(1-methylethyl)-

C3H9NO

结构：CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(CC(C)=O)c2nc(C)nn12

HCID136063678

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(CC(C)=NOC(C)C)c2nc(C)nn12

HCID136656749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac763a2b5ee346f2a6593cc93a97761f
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

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