HRID296925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15296367

tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

C14H26N2O2

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：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1

HCID178466306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-780f16a3ee5f43b99b82b0a58d804401
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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.[C:38]([CH3:39])([CH3:40])([CH3:41])[O:42][C:43](=[O:44])[N:45]1[CH2:46][CH2:47][C:48]2([CH2:49][CH2:50]1)[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]2>>[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:53]2[CH2:52][CH2:51][C:48]3([CH2:47][CH2:46][N:45]([C:43]([O:42][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:44])[CH2:50][CH2:49]3)[CH2:55][CH2:54]2)[cH:9][n:10]1