HRID1546879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3522274

3-Azabicyclo[3.1.0]hexane-6-carboxylic acid, ethyl ester

C8H13NO2

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID76588499

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1C2CN(C(=O)N3C(c4cnc(C(C)(C)C)cc4OCC)=NC(C)(c4ccc(Cl)cc4)C3(C)c3ccc(Cl)cc3)CC21

HCID178468441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3bdd739864e415f8556651df4398dcf
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

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