HRID672229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10851461

piperidin-4-yl N-(2-phenylphenyl)carbamate

C18H20N2O2

HCID57461079

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1I

HCID46239622

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83420d69094044ed9377a6476d50dbf4
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

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