HRID185456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

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

HCID59636413

未命名化合物

HCID67017478

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ncc(Nc2cc3cccc(Cl)c3cn2)nc1OC1CCNC1

HCID67017476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a1d5158cf39466a870abdc1d80488f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:70](=[O:71])([O-:72])[O-:73].[CH3:1][C:2]1([CH3:3])[c:4]2[cH:5][cH:6][cH:7][c:8]([P:9]([c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[O:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][c:29]2[P:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[Cl:43][c:44]1[n:45][cH:46][c:47]2[c:48]([Cl:54])[cH:49][cH:50][cH:51][c:52]2[cH:53]1.[Cs+:74].[Cs+:75].[NH2:55][c:56]1[n:57][c:58]([O:64][CH:65]2[CH2:66][NH:67][CH2:68][CH2:69]2)[c:59]([C:62]#[N:63])[n:60][cH:61]1.[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)[CH:136]=[CH:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:88].[Pd:89]>>[c:44]1([NH:55][c:56]2[n:57][c:58]([O:64][CH:65]3[CH2:66][NH:67][CH2:68][CH2:69]3)[c:59]([C:62]#[N:63])[n:60][cH:61]2)[n:45][cH:46][c:47]2[c:48]([Cl:54])[cH:49][cH:50][cH:51][c:52]2[cH:53]1