HRID2335153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID12060

Benzoic acid, 3-iodo-

C7H5IO2

HCID24386

Thionyl chloride

Cl2OS

结构：CC(=O)OCC1OC(OC(C)=O)C(N)C(OC(C)=O)C1OC(C)=O

HCID408523

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(OC(C)=O)C(NC(=O)c2cccc(I)c2)C(OC(C)=O)C1OC(C)=O

HCID178476157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b92107f1d9414ca69e72d2a6eff954f7
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

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