HRID282049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11010374

未命名化合物

结构：Cc1c(Br)c2c(c(C)c1NC(=O)CC(C)(C)C)C(c1ccc(C(C)C)cc1)CO2

HCID23113867

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(=O)CC(C)(C)C)c(C)c2c(c1-c1ccco1)OCC2c1ccc(C(C)C)cc1

HCID178430691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5511b1e5c195481a9e4dccfaeb080bdb
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

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