HRID282931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID17752157

3-Iodo-4-methylbenzoyl chloride

C8H6ClIO

结构：CP(C)(=O)CN1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1

HCID68912160

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2ccc(CN3CCN(CP(C)(C)=O)CC3)c(C(F)(F)F)c2)cc1I

HCID68911921

N-[4-({4-[(dimethylphosphoryl)methyl]piperazin-1-yl}methyl)-3-(trifluoromethyl)phenyl]-3-iodo-4-methylbenzamide

C23H28F3IN3O2P

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a5dbd700b5d4447826ab4838979ce9d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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