HRID1143876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

结构：CC(C)OC(=O)N1CCC(Oc2cccc3c2CCN3c2ccc(I)cc2)CC1

HCID68847313

未命名化合物

HCID178454807

未命名化合物

PRODUCTS

生成物

结构：CCCCOP(=O)(OCCCC)c1ccc(N2CCc3c(OC4CCN(C(=O)OC(C)C)CC4)cccc32)cc1

HCID58017017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4ddd283a0df49fdb2f310705100e3d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:20][N:21]([CH3:22])[CH2:23][CH2:24][NH2:25].[Cu:56][I:57].[I:26][c:27]1[cH:28][cH:29][c:30]([N:33]2[CH2:34][CH2:35][c:36]3[c:37]([O:42][CH:43]4[CH2:44][CH2:45][N:46]([C:49](=[O:50])[O:51][CH:52]([CH3:53])[CH3:54])[CH2:47][CH2:48]4)[cH:38][cH:39][cH:40][c:41]32)[cH:31][cH:32]1.[OH2:55].[PH:8]([O:9][CH2:10][CH2:11][CH2:12][CH3:13])([O:14][CH2:15][CH2:16][CH2:17][CH3:18])=[O:19]>>[P:8]([O:9][CH2:10][CH2:11][CH2:12][CH3:13])([O:14][CH2:15][CH2:16][CH2:17][CH3:18])(=[O:19])[c:27]1[cH:28][cH:29][c:30]([N:33]2[CH2:34][CH2:35][c:36]3[c:37]([O:42][CH:43]4[CH2:44][CH2:45][N:46]([C:49](=[O:50])[O:51][CH:52]([CH3:53])[CH3:54])[CH2:47][CH2:48]4)[cH:38][cH:39][cH:40][c:41]32)[cH:31][cH:32]1