HRID122216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75886

2-Chloro-N,N-dimethylacetamide

C4H8ClNO

结构：COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNC4)nc12

HCID49838140

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)C4)nc12

HCID59612506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00b16d468529464588daa29ec27fbbed
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

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