HRID212439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17233802

4-(Ethoxymethyl)piperidine

C8H17NO

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(=O)O)CC1

HCID178466389

未命名化合物

PRODUCTS

生成物

结构：CCOCC1CCN(C(=O)CC2CCN(C(=O)N3C(c4cnc(C(C)(C)C)cc4OCC)=NC(C)(c4ccc(Cl)cc4)C3(C)c3ccc(Cl)cc3)CC2)CC1

HCID178467622

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db0d5c97136e42cc8e36b8b4d29f0ba0
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:44][CH2:45][CH3:46])[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:34]2[CH2:35][CH2:36][CH:37]([CH2:40][C:41](=[O:42])[OH:43])[CH2:38][CH2:39]2)[cH:9][n:10]1.[CH2:47]([CH3:48])[O:49][CH2:50][CH:51]1[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:44][CH2:45][CH3:46])[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:34]2[CH2:35][CH2:36][CH:37]([CH2:40][C:41](=[O:43])[N:54]3[CH2:53][CH2:52][CH:51]([CH2:50][O:49][CH2:47][CH3:48])[CH2:56][CH2:55]3)[CH2:38][CH2:39]2)[cH:9][n:10]1