HRID114203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID54187007

未命名化合物

结构：CCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C(=O)O

HCID69589638

未命名化合物

PRODUCTS

生成物

结构：CCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C(=O)Nc1ccc(CCC(=O)OC)c(C)c1

HCID69589331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a36a186ee0c14d5f9793095edd681b97
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

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