HRID165694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

结构：CCCc1ccc(CNC(=O)C2CN(c3nc(C)c(C(=O)OC(C)(C)C)s3)CCN2)cc1

HCID67410575

未命名化合物

HCID86619481

未命名化合物

PRODUCTS

生成物

结构：CCCc1ccc(CNC(=O)C2CN(c3nc(C)c(C(=O)OC(C)(C)C)s3)CCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2F)cc1

HCID67408318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b42c0a3d8e3d4c20a6b77722161d2f81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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