HRID667711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID76490

5-Nitropyrimidin-2-amine

C4H4N4O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID58748728

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCN1CCCC1)c1ccc(Nc2ncc([N+](=O)[O-])cn2)cn1

HCID58748738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b1cbb637da84b4cb04fc9449a8d1bd6
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

[C:28](=[O:29])([O-:30])[O-:31].[CH3:135][OH:136].[CH:114](=[CH:115][C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)=[O:125])[c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[CH:78](=[CH:79][C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)=[O:89])[c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[CH:96](=[CH:97][C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)=[O:107])[c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Cl:132][CH2:133][Cl:134].[Cs+:32].[Cs+:33].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][n:6][c:7]([NH2:10])[n:8][cH:9]1.[N:11]1([CH2:16][CH2:17][NH:18][C:19](=[O:20])[c:21]2[n:22][cH:23][c:24]([Br:27])[cH:25][cH:26]2)[CH2:12][CH2:13][CH2:14][CH2:15]1.[Pd:76].[Pd:77].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[c:43]3[c:67]([cH:68][cH:69][cH:70]2)[C:64]([CH3:65])([CH3:66])[c:46]2[c:45]([c:50]([P:51]([c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[c:58]4[cH:59][cH:60][cH:61][cH:62][cH:63]4)[cH:49][cH:48][cH:47]2)[O:44]3)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][n:6][c:7]([NH:10][c:24]2[cH:23][n:22][c:21]([C:19]([NH:18][CH2:17][CH2:16][N:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)=[O:20])[cH:26][cH:25]2)[n:8][cH:9]1