HRID1542358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID98103

Ethyl 3-aminobutyrate

C6H13NO2

结构：COCc1cc(-c2nc(-c3ccc(C(=O)Cl)c(F)c3)no2)ccc1-c1ccccc1C

HCID86645657

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(C)NC(=O)c1ccc(-c2noc(-c3ccc(-c4ccccc4C)c(COC)c3)n2)cc1F

HCID59495645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e52e052f51774dccbc6f7a225413ffdb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:41]([CH3:42])[O:43][C:44]([CH2:45][CH:46]([CH3:47])[NH2:48])=[O:49].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[F:1][c:2]1[c:3]([C:4](=[O:5])[Cl:6])[cH:7][cH:8][c:9](-[c:11]2[n:12][o:13][c:14](-[c:16]3[cH:17][c:18]([CH2:29][O:30][CH3:31])[c:19](-[c:22]4[c:23]([CH3:28])[cH:24][cH:25][cH:26][cH:27]4)[cH:20][cH:21]3)[n:15]2)[cH:10]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:48][CH:46]([CH2:45][C:44]([O:43][CH2:41][CH3:42])=[O:49])[CH3:47])[cH:7][cH:8][c:9](-[c:11]2[n:12][o:13][c:14](-[c:16]3[cH:17][c:18]([CH2:29][O:30][CH3:31])[c:19](-[c:22]4[c:23]([CH3:28])[cH:24][cH:25][cH:26][cH:27]4)[cH:20][cH:21]3)[n:15]2)[cH:10]1