HRID94216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：COc1ccc(S(=O)(=O)C2(C(=O)O)CCN(Cc3ccccc3)CC2)cc1

HCID11143610

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(Cc3ccccc3)CC2)cc1

HCID9865936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-130a641e011d4d9e8913c5338625463b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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