HRID684307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：Cc1nc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C(C(=O)NCc3ccc(C(C)C)nc3)C2)sc1C(=O)OC(C)(C)C

HCID67410778

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C(C(=O)NCc3ccc(C(C)C)nc3)C2)sc1C(=O)O

HCID67409786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b6880bdced84592ac1b7a56b7859ea4
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](=[O:7])[c:8]1[c:9]([CH3:46])[n:10][c:11]([N:13]2[CH2:14][CH:15]([C:33]([NH:34][CH2:35][c:36]3[cH:37][n:38][c:39]([CH:42]([CH3:43])[CH3:44])[cH:40][cH:41]3)=[O:45])[N:16]([S:19](=[O:20])(=[O:21])[c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[CH2:17][CH2:18]2)[s:12]1.[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[O:5]=[C:6]([OH:7])[c:8]1[c:9]([CH3:46])[n:10][c:11]([N:13]2[CH2:14][CH:15]([C:33]([NH:34][CH2:35][c:36]3[cH:37][n:38][c:39]([CH:42]([CH3:43])[CH3:44])[cH:40][cH:41]3)=[O:45])[N:16]([S:19](=[O:20])(=[O:21])[c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[CH2:17][CH2:18]2)[s:12]1