HRID151994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

结构：C=Cc1nc(OCC)n(Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2)c1C=O

HCID59830911

未命名化合物

PRODUCTS

生成物

结构：C=Cc1nc(OCC)n(Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2)c1C=NO

HCID72572962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01e29c253a3b4d7b8085eddfa06bccd0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][n:21]3[c:22]([O:30][CH2:31][CH3:32])[n:23][c:24]([CH:28]=[CH2:29])[c:25]3[CH:26]=[O:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1.[ClH:39].[NH2:40][OH:41].[OH2:42].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][n:21]3[c:22]([O:30][CH2:31][CH3:32])[n:23][c:24]([CH:28]=[CH2:29])[c:25]3[CH:26]=[N:40][OH:41])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1