HRID118275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)NCc1ccccc1-c1ccc(CO)cc1

HCID22008472

未命名化合物

结构：CC(CNC(C)(C)CC(=O)NC1CCc2ccccc2NC1=O)OCc1ccccc1

HCID178457242

未命名化合物

PRODUCTS

生成物

结构：CC(CNC(C)(C)CC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)OC(C)(C)C)cc2)C1=O)OCc1ccccc1

HCID178457243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae3a94f5580a4d3ca84ee62e9c8c36d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[NH:39][CH2:40][c:41]1[c:42](-[c:47]2[cH:48][cH:49][c:50]([CH2:53][OH:54])[cH:51][cH:52]2)[cH:43][cH:44][cH:45][cH:46]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]([CH2:10][NH:11][C:12]([CH2:13][C:14](=[O:15])[NH:16][CH:17]1[C:18](=[O:28])[NH:19][c:20]2[c:21]([cH:24][cH:25][cH:26][cH:27]2)[CH2:22][CH2:23]1)([CH3:29])[CH3:30])[CH3:31]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]([CH2:10][NH:11][C:12]([CH2:13][C:14](=[O:15])[NH:16][CH:17]1[C:18](=[O:28])[N:19]([CH2:53][c:50]2[cH:49][cH:48][c:47](-[c:42]3[c:41]([CH2:40][NH:39][C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:38])[cH:46][cH:45][cH:44][cH:43]3)[cH:52][cH:51]2)[c:20]2[c:21]([cH:24][cH:25][cH:26][cH:27]2)[CH2:22][CH2:23]1)([CH3:29])[CH3:30])[CH3:31]