HRID1554423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccc(OC(F)(F)F)cc2)CC1

HCID6623709

未命名化合物

HCID22557874

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cncc(CN(c3ccc(OC(F)(F)F)cc3)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(OC)c1OC

HCID22558030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4397d7e57a8f47359847b0edb3867f01
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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