HRID1240456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccsc3C=O)n(CC(=O)OC(C)(C)C)c2c1

HCID86604968

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccsc3CNCCN(C)C)n(CC(=O)OC(C)(C)C)c2c1

HCID68511147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86bf5ce9521d445791f632a64e029381
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9](-[c:27]2[c:28]([CH:32]=[O:33])[s:29][cH:30][cH:31]2)[c:10]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[O:19][CH3:20])[cH:15][c:16]12)=[O:34].[C:41]([OH:42])(=[O:43])[CH3:44].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:35][N:36]([CH2:37][CH2:38][NH2:39])[CH3:40].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9](-[c:27]2[c:28]([CH2:32][NH:39][CH2:38][CH2:37][N:36]([CH3:35])[CH3:40])[s:29][cH:30][cH:31]2)[c:10]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[O:19][CH3:20])[cH:15][c:16]12)=[O:34]