HRID192697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(-c2cnc(Nc3cccc4c3CC(NC(=O)OC(C)(C)C)CC4)o2)cc1

HCID67229286

未命名化合物

结构：CC(C)(C)OC(=O)NC1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1

HCID67229897

未命名化合物

PRODUCTS

生成物

结构：NC1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1

HCID11964241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a5c2fe03b144916a96f1f391c4e1c74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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