HRID680698

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCNc2ncc(-c3ccc(OC(F)(F)F)cc3)cn2)cs1

HCID59759070

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Sc1nc(CCNc2ncc(-c3ccc(OC(F)(F)F)cc3)cn2)cs1)C(=O)O

HCID11691563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c4c1bb68aa543b688886d600c578de5
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]([C:7]([CH3:8])([S:9][c:10]1[s:11][cH:12][c:13]([CH2:15][CH2:16][NH:17][c:18]2[n:19][cH:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][cH:29]3)[cH:22][n:23]2)[n:14]1)[CH3:35])=[O:36].[Cl:44][CH2:45][Cl:46].[OH:37][C:38]([C:39]([F:40])([F:41])[F:42])=[O:43]>>[O:5]=[C:6]([C:7]([CH3:8])([S:9][c:10]1[s:11][cH:12][c:13]([CH2:15][CH2:16][NH:17][c:18]2[n:19][cH:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][cH:29]3)[cH:22][n:23]2)[n:14]1)[CH3:35])[OH:36]