HRID205386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6422

未命名化合物

HCID88695

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

C8H4INO2

结构：CC(C)(C)OC(=O)NNC(=O)c1ccc(OC(Cc2ccccc2)C(=O)OCc2ccccc2)cc1

HCID178454367

未命名化合物

PRODUCTS

生成物

结构：O=C1Nc2ccc(I)cc2C1=NNC(=O)c1ccc(OC(Cc2ccccc2)C(=O)OCc2ccccc2)cc1

HCID178517214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dc0e5deb355489c8d067cb9e76542b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH:27]([C:28](=[O:29])[O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[O:38][c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[NH:45][NH:46][C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[cH:54][cH:55]1.[CH3:56][C:57](=[O:58])[OH:59].[F:13][C:14]([F:15])([F:16])[C:17]([OH:18])=[O:19].[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:46][NH:45][C:43]([c:42]1[cH:41][cH:40][c:39]([O:38][CH:27]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:55][cH:54]1)=[O:44]