HRID1131590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214733

未命名化合物

结构：COc1ccc(C(C(F)(F)F)C(F)(F)F)cc1CNC1CCCN(C(=O)OC(C)(C)C)C1c1ccccc1

HCID17814226

未命名化合物

HCID18677596

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=C(F)F)C(F)(F)F)cc1CNC1CCCN(C(=O)OC(C)(C)C)C1c1ccccc1

HCID18677660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-800e005681fd4956b6f5ea69adf05374
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:39]([CH3:40])([CH3:41])([CH3:42])[O:43][C:44](=[O:45])[N:46]1[CH:47]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[CH:48]([NH:52][CH2:53][c:54]2[c:55]([O:69][CH3:70])[cH:56][cH:57][c:58]([CH:60]([C:61]([F:62])([F:63])[F:64])[C:65]([F:66])([F:67])[F:68])[cH:59]2)[CH2:49][CH2:50][CH2:51]1.[F:1][C:2]([F:3])=[C:4]([c:5]1[cH:6][cH:7][c:8]([O:9][CH3:10])[c:11]([CH:13]=[O:14])[cH:12]1)[C:15]([F:16])([F:17])[F:18].[NH2:19][CH:20]1[CH2:21][CH2:22][CH2:23][N:24]([C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH:32]1[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[C:39]([CH3:40])([CH3:41])([CH3:42])[O:43][C:44](=[O:45])[N:46]1[CH:47]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[CH:48]([NH:52][CH2:53][c:54]2[c:55]([O:69][CH3:70])[cH:56][cH:57][c:58]([C:60]([C:61]([F:62])([F:63])[F:64])=[C:65]([F:66])[F:67])[cH:59]2)[CH2:49][CH2:50][CH2:51]1