HRID1149255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID10377109

未命名化合物

HCID15585768

2,2-Dimethyl-3-(pentyloxy)cyclopropane-1-carboxylic acid

C11H20O3

PRODUCTS

生成物

结构：CCCCCOC1C(C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2)C1(C)C

HCID23338844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abf92ef87eb14b7ea64b0f65a4e652ed
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

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