HRID179702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID736860

4-Fluoro-N-methylbenzylamine

C8H10FN

HCID68951325

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccc(F)cc1)C(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C)CC2

HCID68951449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-703b43fe96674b41b85974abe83f0bb3
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

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