HRID204321

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

HCID19046961

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(-c2ccc(OC(=O)C3CCC(CCCCC)CC3)c(F)n2)cc1

HCID53956371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72bd542d7c9b41198caca6cb7252cb83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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.[CH2:62]([Cl:63])[Cl:64].[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.[F:1][c:2]1[n:3][c:4](-[c:9]2[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[cH:13][cH:14]2)[cH:5][cH:6][c:7]1[OH:8]>>[F:1][c:2]1[n:3][c:4](-[c:9]2[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[cH:13][cH:14]2)[cH:5][cH:6][c:7]1[O:8][C:50]([CH:47]1[CH2:46][CH2:45][CH:44]([CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[CH2:49][CH2:48]1)=[O:51]