HRID2310126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID69592760

未命名化合物

结构：CC(C)(C)OC(=O)Nc1cc(OC(C)(C)C)c(-c2ccccc2F)cc1N

HCID70002991

未命名化合物

PRODUCTS

生成物

结构：CSc1nccn1-c1cccc(C(=O)CC(=O)Nc2cc(-c3ccccc3F)c(OC(C)(C)C)cc2NC(=O)OC(C)(C)C)c1

HCID86758258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d7778d6cee0443a97b3a0ce132e0891
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[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:27].[C:28]([CH3:30])([CH3:31])([O:32][C:33](=[O:29])[CH2:34][C:35](=[O:36])[c:37]1[cH:38][c:39](-[n:43]2[c:44]([S:48][CH3:49])[n:45][cH:46][cH:47]2)[cH:40][cH:41][cH:42]1)[CH3:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[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:33](=[O:32])[CH2:34][C:35](=[O:36])[c:37]1[cH:38][c:39](-[n:43]2[c:44]([S:48][CH3:49])[n:45][cH:46][cH:47]2)[cH:40][cH:41][cH:42]1)=[O:27]