HRID197055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

结构：CCOc1nc(C2CC2)c(C=O)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1F

HCID59283909

未命名化合物

PRODUCTS

生成物

结构：CCOc1nc(C2CC2)c(C=NO)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1F

HCID72245775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6be2fc4c2e8c4f9fba68407f8f75caf1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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][c:16]([F:34])[c:17]([CH2:20][n:21]3[c:22]([O:31][CH2:32][CH3:33])[n:23][c:24]([CH:28]4[CH2:29][CH2:30]4)[c:25]3[CH:26]=[O:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1.[CH3:44][OH:45].[ClH:35].[NH2:36][OH:37].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]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][c:16]([F:34])[c:17]([CH2:20][n:21]3[c:22]([O:31][CH2:32][CH3:33])[n:23][c:24]([CH:28]4[CH2:29][CH2:30]4)[c:25]3[CH:26]=[N:36][OH:37])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1