HRID87171

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID88695

5-Iodo-1H-indole-2,3-dione

C8H4INO2

结构：CCCCCCCc1ccc(C(=O)Nc2ccc(C(=O)NN)cc2)cc1

HCID10132778

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCc1ccc(C(=O)Nc2ccc(C(=O)NN=C3C(=O)Nc4ccc(I)cc43)cc2)cc1

HCID178442529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8efdbea71ae14bd489f2110fa9c22e6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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