HRID2339669

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：CCCOc1nc(Br)c(C=O)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)c(F)c1

HCID59283904

未命名化合物

PRODUCTS

生成物

结构：CCCOc1nc(Br)c(C=NO)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)c(F)c1

HCID72245774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f56e56d5f53b40ecb276e804b192c6bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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[c:15]([F:33])[cH:16][c:17]([CH2:20][n:21]3[c:22]([O:29][CH2:30][CH2:31][CH3:32])[n:23][c:24]([Br:28])[c:25]3[CH:26]=[O:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1.[ClH:34].[NH2:35][OH:36].[OH2:43].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[c:15]([F:33])[cH:16][c:17]([CH2:20][n:21]3[c:22]([O:29][CH2:30][CH2:31][CH3:32])[n:23][c:24]([Br:28])[c:25]3[CH:26]=[N:35][OH:36])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1