HRID95332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID98882

Cyclohexanecarboxylic acid, 4-pentyl-

C12H22O2

HCID135794777

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(-c2ccc(OC(=O)C3CCC(CCCCC)CC3)cc2)nc1F

HCID19046975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c6ee06a125e407d91f779a44f62417b
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

[CH2:39]([CH2:40][CH2:41][CH2:42][CH3:43])[CH:44]1[CH2:45][CH2:46][CH:47]([C:50](=[O:51])[OH:52])[CH2:48][CH2:49]1.[CH3:53][N:54]([c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1)[CH3:61].[CH:24]1([N:25]=[C:26]=[N:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[Cl:62][CH2:63][Cl:64].[F:1][c:2]1[n:3][c:4](-[c:17]2[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16]>>[F:1][c:2]1[n:3][c:4](-[c:17]2[cH:18][cH:19][c:20]([O:23][C:50]([CH:47]3[CH2:46][CH2:45][CH:44]([CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[CH2:49][CH2:48]3)=[O:51])[cH:21][cH:22]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16]