HRID682043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID2734659

2,4-Dichlorophenylboronic acid

C6H5BCl2O2

HCID22147265

未命名化合物

结构：c1ccc(P(C2CCCCC2)C2CCCCC2)c(-c2cc3ccccc3c3ccccc23)c1

HCID22147288

Dicyclohexyl[2-(phenanthren-9-yl)phenyl]phosphane

C32H35P

PRODUCTS

生成物

结构：COc1nc(NC2c3ccccc3CC2O)cnc1-c1ccc(Cl)cc1Cl

HCID22147352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11088d7a68c045d1a10884760c42f6c9
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

[Br:1][c:2]1[n:3][cH:4][c:5]([NH:10][CH:11]2[CH:12]([OH:20])[CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]32)[n:6][c:7]1[O:8][CH3:9].[CH3:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[CH:21]1([P:22]([CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2-[c:35]2[c:36]3[c:37]([c:38]4[cH:39][cH:40][cH:41][cH:42][c:43]4[cH:44]2)[cH:45][cH:46][cH:47][cH:48]3)[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[Cl:54][c:55]1[c:56]([B:62]([OH:63])[OH:64])[cH:57][cH:58][c:59]([Cl:61])[cH:60]1.[Cl:73][CH2:74][Cl:75].[K+:70].[K+:71].[K+:72].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[P:65]([O-:66])([O-:67])([O-:68])=[O:69].[Pd:76].[Pd:77]>>[c:2]1(-[c:56]2[c:55]([Cl:54])[cH:60][c:59]([Cl:61])[cH:58][cH:57]2)[n:3][cH:4][c:5]([NH:10][CH:11]2[CH:12]([OH:20])[CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]32)[n:6][c:7]1[O:8][CH3:9]