HRID2347745

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID21836609

未命名化合物

HCID22246990

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C1=O)NC(=O)OCc1ccccc1

HCID19766191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48a4d9b06f404cedbc68916b01f2c01a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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