HRID1226647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID7519

Anisole

C7H8O

结构：Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(CC(C)C)CC(C)C)cc3c2CCNC(=O)OC(C)(C)C)c1

HCID54298340

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(CC(C)C)CC(C)C)cc3c2CCN)c1

HCID53794651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-789a3aa0bfe84401887f43da1c8a2241
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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