HRID666826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214733

未命名化合物

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

HCID18677612

未命名化合物

PRODUCTS

生成物

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

HCID178490583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06cb90deaa114625806d42b67c032c4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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][O:22][c:23]1[c:24]([CH:25]=[O:26])[cH:27][c:28]([C:31]([C:32]([F:33])([F:34])[F:35])([F:36])[F:37])[cH:29][cH:30]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)[CH2:25][c:24]1[c:23]([O:22][CH3:21])[cH:30][cH:29][c:28]([C:31]([C:32]([F:33])([F:34])[F:35])([F:36])[F:37])[cH:27]1