HRID170599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID95737

Benzoic acid, 3-mercapto-

C7H6O2S

HCID86619847

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(OCc2ccc(Sc3cccc(C(=O)O)c3)nc2)ccc(C(C)=O)c1O

HCID59599495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22977e3c0892425eafb73e9f4b098487
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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