HRID196711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID22219926

tert-Butyl 2,6-dimethylpiperazine-1-carboxylate

C11H22N2O2

结构：O=Cc1ccc(C2Nc3cccc4c(=O)[nH]nc(c34)C2c2ccc(F)cc2)cc1

HCID136344749

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(C3Nc4cccc5c(=O)[nH]nc(c45)C3c3ccc(F)cc3)cc2)CC(C)N1C(=O)OC(C)(C)C

HCID136374712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9e814193fa9433e9f1c0421ef256c3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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