HRID697346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)CC(=O)c1cccc(-c2ccncc2)c1

HCID69486853

未命名化合物

结构：CN(C)c1cc(NC(=O)OC(C)(C)C)c(N)cc1-c1ccccc1F

HCID69489440

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3ccncc3)c2)cc1-c1ccccc1F

HCID86589252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17cab7ef1c284aefa95d7115ba2f6658
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([N:22]([CH3:23])[CH3:24])[c:11](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[cH:12][c:13]1[NH2:14])=[O:25].[C:26]([CH3:28])([CH3:29])([O:30][C:31](=[O:27])[CH2:32][C:33]([c:34]1[cH:35][c:36](-[c:40]2[cH:41][cH:42][n:43][cH:44][cH:45]2)[cH:37][cH:38][cH:39]1)=[O:46])[CH3:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([N:22]([CH3:23])[CH3:24])[c:11](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[cH:12][c:13]1[NH:14][C:31](=[O:30])[CH2:32][C:33]([c:34]1[cH:35][c:36](-[c:40]2[cH:41][cH:42][n:43][cH:44][cH:45]2)[cH:37][cH:38][cH:39]1)=[O:46])=[O:25]