HRID95375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID67326

Benzenemethanamine, 4-fluoro-

C7H8FN

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID68953295

未命名化合物

PRODUCTS

生成物

结构：COc1c(C(=O)NCc2ccc(F)cc2)nn2c1c(=O)n(C)c1ccccc12

HCID68953028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-689ab77d81764c60b22e63c4796f381f
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

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