HRID664462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7362

Furfural

C5H4O2

HCID8179

Diethylene glycol diethyl ether

C8H18O3

结构：CC(=O)Nc1ccc(Nc2c(N)cc(C(=O)O)cc2S(=O)(=O)Nc2ccccc2NC(C)=O)cc1

HCID21563903

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(Nc2c(NCc3ccco3)cc(C(=O)O)cc2S(=O)(=O)Nc2ccccc2NC(C)=O)cc1

HCID53875205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1080b80c8ccd499390cfb5a7f07fb347
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[c:13]([NH2:35])[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][c:20]2[S:21]([NH:22][c:23]2[c:24]([NH:29][C:30]([CH3:31])=[O:32])[cH:25][cH:26][cH:27][cH:28]2)(=[O:33])=[O:34])[cH:9][cH:10]1.[CH2:43]([O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH2:51][CH3:52])[CH3:53].[CH:36]([c:37]1[cH:38][cH:39][cH:40][o:41]1)=[O:42]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[c:13]([NH:35][CH2:36][c:37]3[cH:38][cH:39][cH:40][o:41]3)[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][c:20]2[S:21]([NH:22][c:23]2[c:24]([NH:29][C:30]([CH3:31])=[O:32])[cH:25][cH:26][cH:27][cH:28]2)(=[O:33])=[O:34])[cH:9][cH:10]1