HRID1239443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID66460

Guanidine, N,N,N',N'-tetramethyl-

C5H13N3

HCID521865

1-Chloroethyl acetate

C4H7ClO2

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(C(=O)O)c2)nc1OC

HCID9892985

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(C(=O)OC(C)OC(C)=O)c2)nc1OC

HCID53675923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe5b1226c2814559af329f3561a93fc3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][c:3]1[n:4][c:5](-[c:29]2[cH:30][c:31]([C:35](=[O:36])[OH:37])[n:32][cH:33][cH:34]2)[n:6][c:7]([NH:18][S:19](=[O:20])(=[O:21])[c:22]2[n:23][cH:24][c:25]([CH3:28])[cH:26][cH:27]2)[c:8]1[O:9][c:10]1[c:11]([O:16][CH3:17])[cH:12][cH:13][cH:14][cH:15]1.[CH3:38][N:39]([CH3:40])[C:41]([N:42]([CH3:43])[CH3:44])=[NH:45].[Cl:46][CH:47]([CH3:48])[O:49][C:50]([CH3:51])=[O:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[CH3:1][O:2][c:3]1[n:4][c:5](-[c:29]2[cH:30][c:31]([C:35]([O:36][CH:47]([CH3:48])[O:49][C:50]([CH3:51])=[O:52])=[O:37])[n:32][cH:33][cH:34]2)[n:6][c:7]([NH:18][S:19](=[O:20])(=[O:21])[c:22]2[n:23][cH:24][c:25]([CH3:28])[cH:26][cH:27]2)[c:8]1[O:9][c:10]1[c:11]([O:16][CH3:17])[cH:12][cH:13][cH:14][cH:15]1