HRID305771

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

HCID18677647

未命名化合物

PRODUCTS

生成物

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

HCID18677654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06aa7b8758c64e3cb4a999a0565b478f
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

[C:40]([O:41][C:42]([N:43]1[CH2:44][CH2:45][CH2:46][CH:47]([NH:48][CH2:49][c:50]2[cH:51][c:52]([CH:53]([C:54]([F:55])([F:56])[F:57])[C:58]([F:59])([F:60])[F:61])[cH:62][cH:63][c:64]2[O:65][CH3:66])[CH:67]1[c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)=[O:74])([CH3:75])([CH3:76])[CH3:77].[CH3:1][C:2]([C:3]#[C:4][C:5]([F:6])([F:7])[F:8])([CH3:9])[c:10]1[cH:11][cH:12][c:13]([O:18][CH3:19])[c:14]([CH:15]=[O:16])[cH:17]1.[NH2:20][CH:21]1[CH:22]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[N:23]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:24][CH2:25][CH2:26]1>>[CH3:1][C:2]([C:3]#[C:4][C:5]([F:6])([F:7])[F:8])([CH3:9])[c:10]1[cH:11][cH:12][c:13]([O:18][CH3:19])[c:14]([CH2:15][NH:20][CH:21]2[CH:22]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[N:23]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:24][CH2:25][CH2:26]2)[cH:17]1