HRID2128791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID2757234

未命名化合物

结构：Cn1c(=O)c2c(nc(Cl)n2Cc2ccccc2I)n(C)c1=O

HCID22508626

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c2c(nc(N3CCC(NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2I)n(C)c1=O

HCID69186758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d449692ea954b2498721efc5071b2c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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