HRID688066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID78736

1H-Imidazole-1-propanamine

C6H11N3

结构：COC(=O)C1=C(C)NC(=O)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1c1ccc(F)c(F)c1

HCID15895760

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCn2ccnc2)C1c1ccc(F)c(F)c1

HCID69727659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab6700bae8164edcb4f08f2640bfeccb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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