HRID2313119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214733

未命名化合物

HCID18677606

2-Methoxy-5-(2,2,2-trifluoro-1,1-dimethylethyl)benzaldehyde

C12H13F3O2

结构：CC(C)(C)OC(=O)N1CCCC(NCc2cc(C(C)(F)F)ccc2OC(F)(F)F)C1c1ccccc1

HCID18677607

未命名化合物

PRODUCTS

生成物

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

HCID18677634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c8f9fb26b6d43938b44ac2077e0852d
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

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