HRID2153318

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

HCID123138

Ethyl radical

C2H5

结构：CCOC(=O)CC1CCc2cc(OCCCOc3ccc(C#N)cc3OC)ccc21

HCID178470633

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC1CCc2cc(OCCCOc3ccc(C(N)=S)cc3OC)ccc21

HCID178470635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2324c175693433695d15fce2f2e13cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:3](#[N:4])[c:5]1[cH:6][c:7]([O:31][CH3:32])[c:8]([O:9][CH2:10][CH2:11][CH2:12][O:13][c:14]2[cH:15][c:16]3[c:20]([cH:21][cH:22]2)[CH:19]([CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:18][CH2:17]3)[cH:29][cH:30]1.[CH2:1][CH3:2].[CH2:34]([NH:35][CH2:36][CH3:37])[CH3:38].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[SH2:33]>>[C:3]([NH2:4])([c:5]1[cH:6][c:7]([O:31][CH3:32])[c:8]([O:9][CH2:10][CH2:11][CH2:12][O:13][c:14]2[cH:15][c:16]3[c:20]([cH:21][cH:22]2)[CH:19]([CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:18][CH2:17]3)[cH:29][cH:30]1)=[S:33]