HRID2130052

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

HCID53275620

未命名化合物

HCID70968436

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(C)NC(=O)C2CC2c2ccc(C(F)(F)F)cc2)ccc1NS(C)(=O)=O

HCID69578266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb32e8d9116242ba887c2fa0e9a3332f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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