HRID674263

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6405

2-Methyl-2-butanol

C5H12O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID58335272

未命名化合物

结构：CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(N)s2)c(F)c1

HCID59525619

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)COCc1cccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)n1

HCID25110598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6a72aca042441a497f200bde3ed3950
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:68][c:69]1[cH:70][cH:71][cH:72][c:73]([CH2:75][O:76][CH2:77][C:78]([CH3:79])([OH:80])[CH3:81])[n:74]1.[C:1]([OH:2])([CH2:3][CH3:4])([CH3:5])[CH3:6].[C:62](=[O:63])([O-:64])[O-:65].[CH3:82][OH:83].[CH:28]1([P:29]([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2-[c:42]2[c:43]([CH:44]([CH3:45])[CH3:46])[cH:47][c:48]([CH:49]([CH3:50])[CH3:51])[cH:52][c:53]2[CH:54]([CH3:55])[CH3:56])[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[K+:66].[K+:67].[NH2:7][c:8]1[s:9][c:10](-[c:16]2[c:17]([F:27])[cH:18][c:19]([C:23]([CH3:24])([CH3:25])[OH:26])[cH:20][c:21]2[F:22])[cH:11][c:12]1[C:13](=[O:14])[NH2:15].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:122]=[C:123]([CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1)[CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:84].[Pd:85]>>[NH:7]([c:8]1[s:9][c:10](-[c:16]2[c:17]([F:27])[cH:18][c:19]([C:23]([CH3:24])([CH3:25])[OH:26])[cH:20][c:21]2[F:22])[cH:11][c:12]1[C:13](=[O:14])[NH2:15])[c:69]1[cH:70][cH:71][cH:72][c:73]([CH2:75][O:76][CH2:77][C:78]([CH3:79])([OH:80])[CH3:81])[n:74]1