HRID2153793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1cc(N2CCOCC2)c(C(F)(F)F)cc1N

HCID12048026

未命名化合物

结构：CN(C)Cc1cnnn1-c1cccc(C(=O)CC(=O)OC(C)(C)C)c1

HCID69687667

未命名化合物

PRODUCTS

生成物

结构：CN(C)Cc1cnnn1-c1cccc(C(=O)CC(=O)Nc2cc(C(F)(F)F)c(N3CCOCC3)cc2NC(=O)OC(C)(C)C)c1

HCID86586978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6445b7ceaff4a4db1b4d6b05670dac8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:24])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:13]1)=[O:25].[C:26]([CH3:28])([CH3:29])([O:30][C:31](=[O:27])[CH2:32][C:33](=[O:34])[c:35]1[cH:36][c:37](-[n:41]2[n:42][n:43][cH:44][c:45]2[CH2:46][N:47]([CH3:48])[CH3:49])[cH:38][cH:39][cH:40]1)[CH3:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:24][C:31](=[O:30])[CH2:32][C:33](=[O:34])[c:35]2[cH:36][c:37](-[n:41]3[n:42][n:43][cH:44][c:45]3[CH2:46][N:47]([CH3:48])[CH3:49])[cH:38][cH:39][cH:40]2)[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:13]1)=[O:25]