HRID2162380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID15547048

10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine

C12H12N2

结构：COc1cc(-c2ccccc2C(F)(F)F)c(Cl)cc1C(=O)O

HCID21947754

2-Chloro-5-methoxy-2′-(trifluoromethyl)[1,1′-biphenyl]-4-carboxylic acid

C15H10ClF3O3

PRODUCTS

生成物

结构：COc1cc(-c2ccccc2C(F)(F)F)c(Cl)cc1C(=O)N1Cc2cccn2Cc2ccccc21

HCID21947798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f381ef3455f242cea1c7a65e0a13f4da
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

[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[Cl:1][c:2]1[c:3](-[c:13]2[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]2)[cH:4][c:5]([O:11][CH3:12])[c:6]([C:8](=[O:9])[OH:10])[cH:7]1.[Cl:53][CH2:54][Cl:55].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[S:23]([Cl:24])([Cl:25])=[O:26].[cH:27]1[cH:28][cH:29][n:30]2[c:31]1[CH2:32][NH:33][c:34]1[c:35]([cH:37][cH:38][cH:39][cH:40]1)[CH2:36]2>>[Cl:1][c:2]1[c:3](-[c:13]2[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]2)[cH:4][c:5]([O:11][CH3:12])[c:6]([C:8](=[O:10])[N:33]2[CH2:32][c:31]3[cH:27][cH:28][cH:29][n:30]3[CH2:36][c:35]3[c:34]2[cH:40][cH:39][cH:38][cH:37]3)[cH:7]1