HRID2345778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID923

Sodium ion

Na+

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4ccccc4c3=S)cc2)CCC1

HCID86671045

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4ccccc4c3=NO)cc2)CCC1

HCID86671047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdaf5cb033a54297a162d5b013bf0a5d
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]([NH:7][C:8]1([c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[o:20][c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]4[c:27]3=[S:28])[cH:16][cH:17]2)[CH2:9][CH2:10][CH2:11]1)=[O:35].[CH3:40][C:41](=[O:42])[O-:43].[ClH:36].[NH2:37][OH:38].[Na+:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[o:20][c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]4[c:27]3=[N:37][OH:38])[cH:16][cH:17]2)[CH2:9][CH2:10][CH2:11]1)=[O:35]