HRID189057

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1N

HCID59737201

未命名化合物

结构：CSc1nccn1-c1cccc(C(=O)CC(=O)OC(C)(C)C)c1

HCID69592760

未命名化合物

PRODUCTS

生成物

结构：CSc1nccn1-c1cccc(C(=O)CC(=O)Nc2cc(-c3ccc(F)cc3)ccc2NC(=O)OC(C)(C)C)c1

HCID86588072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a047c69814d4de2970fc6f545484e9b
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:21])[cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[cH:12][cH:13]1)=[O:22].[C:23]([CH3:25])([CH3:26])([O:27][C:28](=[O:24])[CH2:29][C:30](=[O:31])[c:32]1[cH:33][c:34](-[n:38]2[c:39]([S:43][CH3:44])[n:40][cH:41][cH:42]2)[cH:35][cH:36][cH:37]1)[CH3:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:21][C:28](=[O:27])[CH2:29][C:30](=[O:31])[c:32]2[cH:33][c:34](-[n:38]3[c:39]([S:43][CH3:44])[n:40][cH:41][cH:42]3)[cH:35][cH:36][cH:37]2)[cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[cH:12][cH:13]1)=[O:22]