HRID1549888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID31374

Dimethylacetamide

C4H9NO

HCID95417

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

C17H14O

3 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

HCID4574913

未命名化合物

HCID25138353

未命名化合物

HCID57551198

1-[[4-(Trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine

C11H10F3N3

PRODUCTS

生成物

结构：O=S(=O)(Nc1nccs1)c1ccc(Nc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1F

HCID57551253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5456074aac154153831153a5b71c1f73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:17])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[s:13][cH:14][cH:15][n:16]2)[cH:6][cH:7]1.[CH3:35][C:36]1([CH3:37])[c:38]2[cH:39][cH:40][cH:41][c:42]([P:43]([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:56]2[O:57][c:58]2[c:59]1[cH:60][cH:61][cH:62][c:63]2[P:64]([c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH3:77][N:78]([CH3:79])[C:80](=[O:81])[CH3:82].[CH3:83][C:84]([CH3:85])([O-:86])[CH3:87].[F:18][C:19]([c:20]1[cH:21][cH:22][c:23]([CH2:24][n:25]2[n:26][cH:27][c:28]([NH2:30])[cH:29]2)[cH:31][cH:32]1)([F:33])[F:34].[Na+:88].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:127]=[C:128]([CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1)[CH:137]=[CH:138][c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:89].[Pd:90]>>[c:2]1([NH:30][c:28]2[cH:27][n:26][n:25]([CH2:24][c:23]3[cH:22][cH:21][c:20]([C:19]([F:18])([F:33])[F:34])[cH:32][cH:31]3)[cH:29]2)[cH:3][c:4]([F:17])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[s:13][cH:14][cH:15][n:16]2)[cH:6][cH:7]1