HRID99055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID12251

Methoxyacetic acid

C3H6O3

结构：Cc1c(CO)c2cnnc(OCc3ccc(F)cc3)c2n1Cc1ccccc1

HCID9951627

未命名化合物

PRODUCTS

生成物

结构：COCC(=O)OCc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)nncc12

HCID56989599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acfa402daecc40f4ac375a158b8c1968
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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:28])[c:10]([CH2:26][OH:27])[c:11]2[c:12]1[c:13]([O:17][CH2:18][c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1)[n:14][n:15][cH:16]2.[CH3:44][O:45][CH2:46][C:47](=[O:48])[OH:49].[CH:29]1([N:30]=[C:31]=[N:32][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:28])[c:10]([CH2:26][O:27][C:47]([CH2:46][O:45][CH3:44])=[O:48])[c:11]2[c:12]1[c:13]([O:17][CH2:18][c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1)[n:14][n:15][cH:16]2