HRID1551265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

结构：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2cccc(C(O)C(F)(F)F)c2)c1

HCID145857661

未命名化合物

PRODUCTS

生成物

HCID145857679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d0fd2abc6cc496d9ab43ddab480c270
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([c:9]1[s:10][c:11]([S:35][CH3:36])[c:12]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][c:19](-[c:23]3[cH:24][c:25]([CH:29]([C:30]([F:31])([F:32])[F:33])[OH:34])[cH:26][cH:27][cH:28]3)[cH:20][cH:21][cH:22]2)[cH:13]1)=[NH:37])=[O:38].[Cl:39][CH2:40][Cl:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([c:9]1[s:10][c:11]([S:35][CH3:36])[c:12]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][c:19](-[c:23]3[cH:24][c:25]([C:29]([C:30]([F:31])([F:32])[F:33])=[O:34])[cH:26][cH:27][cH:28]3)[cH:20][cH:21][cH:22]2)[cH:13]1)=[NH:37])=[O:38]