HRID172066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：c1ccc([P+](Cc2ccccn2)(c2ccccc2)c2ccccc2)cc1

HCID4691582

Triphenyl(2-pyridinylmethyl)phosphonium

C24H21NP+

结构：COc1cc(COc2nn(-c3ccccc3)cc2C=O)ccc1OCc1nc(-c2ccco2)oc1C

HCID86605775

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COc2nn(-c3ccccc3)cc2C=Cc2ccccn2)ccc1OCc1nc(-c2ccco2)oc1C

HCID69216423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64769d7ac76c4535b2f71c73955b4061
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:64](=[O:65])([O-:66])[O-:67].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[Cl-:37].[K+:68].[K+:69].[OH2:75].[n:38]1[c:39]([CH2:44][P+:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:40][cH:41][cH:42][cH:43]1.[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:36])[c:9]([CH2:11][O:12][c:13]3[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:22][c:23]4[CH:24]=[O:25])[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:36])[c:9]([CH2:11][O:12][c:13]3[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:22][c:23]4[CH:24]=[CH:44][c:39]4[n:38][cH:43][cH:42][cH:41][cH:40]4)[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1