HRID99902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

结构：NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl

HCID3440

Furosemide

C12H11ClN2O5S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7656

Dibenzylamine

C14H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

PRODUCTS

生成物

结构：NS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(NCc2ccco2)cc1Cl

HCID11699128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-572bdfd0be124742816c0d1a6e8cc18d
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

[CH2:22]([Cl:23])[CH2:24][Cl:25].[CH2:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[NH:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:8]([OH:9])=[O:10])[c:11]([NH:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][o:18]2)[cH:19][c:20]1[Cl:21].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:26][n:27]1[c:28]2[c:29]([cH:30][cH:31][cH:32][cH:33]2)[n:34][n:35]1>>[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:8](=[O:10])[N:43]([CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:11]([NH:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][o:18]2)[cH:19][c:20]1[Cl:21]