HRID1119474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID81531

Diisopropylethylamine

C8H19N

HCID594417

2',4',5'-Trifluoroacetophenone

C8H5F3O

HCID57461147

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1cc(F)c(N2CCC(=NOC3CCN(C(=O)OC(C)C)CC3)CC2)cc1F

HCID86655010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d303581f1d2e493699ad6feff3e53d7d
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

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