HRID2144028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID53167

1-Methylpiperazine

C5H12N2

结构：NC(=O)c1nc(-c2c(F)cccc2F)oc1-c1ccc(OCCCl)cc1

HCID59587375

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CCOc2ccc(-c3oc(-c4c(F)cccc4F)nc3C(N)=O)cc2)CC1

HCID59587388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c81aa7bd8dd455b8de8de4f5bcaca98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:27][N:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][S:42]([CH3:43])=[O:44].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([C:24](=[O:25])[NH2:26])[n:13][c:14](-[c:16]3[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]3[F:22])[o:15]2)[cH:9][cH:10]1>>[CH2:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([C:24](=[O:25])[NH2:26])[n:13][c:14](-[c:16]3[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]3[F:22])[o:15]2)[cH:9][cH:10]1)[N:31]1[CH2:30][CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]1