HRID110089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID67046941

未命名化合物

HCID70968436

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(C)NC(=O)C2CC2(C)c2ccc(C(C)(C)C)nc2)ccc1NS(C)(=O)=O

HCID70968462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2cc190fba8474a97a3265db694191f8d
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]2([CH3:17])[CH:12]([C:14](=[O:15])[OH:16])[CH2:13]2)[cH:9][n:10]1.[CH2:18]([Cl:19])[CH2:20][Cl:21].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[ClH:32].[NH2:33][CH:34]([CH3:35])[c:36]1[cH:37][c:38]([CH3:47])[c:39]([NH:42][S:43](=[O:44])(=[O:45])[CH3:46])[cH:40][cH:41]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:22][n:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[n:30][n:31]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]2([CH3:17])[CH:12]([C:14](=[O:16])[NH:33][CH:34]([CH3:35])[c:36]3[cH:37][c:38]([CH3:47])[c:39]([NH:42][S:43](=[O:44])(=[O:45])[CH3:46])[cH:40][cH:41]3)[CH2:13]2)[cH:9][n:10]1