HRID210481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6409

2,2,2-Trifluoroethanol

C2H3F3O

HCID31275

1,4-Dioxane

C4H8O2

HCID166653

Hydride

H-

结构：COc1ccc(N2CCOCC2)c2sc(NC(=O)c3ccnc(Cl)c3)nc12

HCID11315694

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCOCC2)c2sc(NC(=O)c3ccnc(OCC(F)(F)F)c3)nc12

HCID22993422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6388ee9b9e774af7a52f91edc367c8b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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