HRID207132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10732661

未命名化合物

结构：Cc1c(C)c2c(c(C)c1NC(=O)OC(C)(C)C)CC(C)(CCBr)O2

HCID54438432

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c2c(c(C)c1NC(=O)OC(C)(C)C)CC(C)(CCN1CCC(CCOC(c3ccccc3)c3ccccc3)CC1)O2

HCID54384639

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaa6278256a14ea183abce487887b938
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

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