HRID1215728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID402

Hydrogen sulfide

H2S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8021

Diethylamine

C4H11N

结构：CCCc1cc(C#N)ccc1OCCCOc1ccc2c(ccn2CC(=O)OC)c1

HCID70971790

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(C(N)=S)ccc1OCCCOc1ccc2c(ccn2CC(=O)OC)c1

HCID57845462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dcfad95693145d1ba10a71e9e7fe313
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

[C:2](#[N:3])[c:4]1[cH:5][c:6]([CH2:29][CH2:30][CH3:31])[c:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][c:15]3[cH:16][cH:17][n:18]([CH2:22][C:23](=[O:24])[O:25][CH3:26])[c:19]3[cH:20][cH:21]2)[cH:27][cH:28]1.[CH2:32]([NH:33][CH2:34][CH3:35])[CH3:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[SH2:1]>>[S:1]=[C:2]([NH2:3])[c:4]1[cH:5][c:6]([CH2:29][CH2:30][CH3:31])[c:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][c:15]3[cH:16][cH:17][n:18]([CH2:22][C:23](=[O:24])[O:25][CH3:26])[c:19]3[cH:20][cH:21]2)[cH:27][cH:28]1