HRID1131049

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

HCID67046973

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(F)(F)F)nc2)ccc1NS(C)(=O)=O

HCID69582447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d36195001f94bf59df60772abb8b1b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:18]([Cl:19])[CH2:20][Cl:21].[CH3:1][C:2]1([c:8]2[cH:9][n:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[CH:3]([C:5](=[O:6])[OH:7])[CH2:4]1.[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>>[CH3:1][C:2]1([c:8]2[cH:9][n:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[CH:3]([C:5](=[O:7])[NH:33][CH:34]([CH3:35])[c:36]2[cH:37][c:38]([CH3:47])[c:39]([NH:42][S:43](=[O:44])(=[O:45])[CH3:46])[cH:40][cH:41]2)[CH2:4]1