HRID2333579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2244

Aspirin

C9H8O4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID3082127

5-(4-hydroxyphenyl)-3H-1,2-dithiole-3-thione

C9H6OS3

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1ccccc1C(=O)Oc1ccc(-c2cc(=S)ss2)cc1

HCID11718034

4-(3-Thioxo-3H-1,2-dithiol-5-yl)phenyl 2-acetoxybenzoate

C18H12O4S3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5cb91dfd40045aaab7568dfce72784a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][c:10]1[C:11]([OH:12])=[O:13].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:24]1([N:25]=[C:26]=[N:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[OH:14][c:15]1[c:16]2[n:17][n:18][nH:19][c:20]2[cH:21][cH:22][cH:23]1.[OH:39][c:40]1[cH:41][cH:42][c:43](-[c:46]2[cH:47][c:48](=[S:51])[s:49][s:50]2)[cH:44][cH:45]1>>[CH3:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][c:10]1[C:11]([O:12][c:40]1[cH:41][cH:42][c:43](-[c:46]2[cH:47][c:48](=[S:51])[s:49][s:50]2)[cH:44][cH:45]1)=[O:13]