HRID2338170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID18414107

未命名化合物

HCID21073377

未命名化合物

PRODUCTS

生成物

结构：O=C1CCc2ccc(OCCCCN3CCN(c4cccc5nc(C(F)(F)F)[nH]c45)CC3)nc2N1

HCID178515656

7-{4-[4-(2-Trifluoromethyl-3H-benzoimidazol-4-yl)-piperazin-1-yl]-butoxy}-3,4-dihydro-1H-[1,8]naphthyridin-2-one

C24H27F3N6O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2704f0cfb0ae4909b9151537329f25f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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