HRID1544539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 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

HCID67236171

未命名化合物

结构：CC(C)(C)OC(=O)C1CCC(O)(c2ncc(Br)s2)CC1

HCID70926225

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N)cc(-c2cnc(C3(O)CCC(C(=O)OC(C)(C)C)CC3)s2)c1

HCID58456118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2202bb7991147dbbd4f6ffffcd0684e
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:18][c:19]1[cH:20][n:21][c:22]([C:24]2([OH:37])[CH2:25][CH2:26][CH:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]2)[s:23]1.[C:72](=[O:73])([O-:74])[O-:75].[CH3:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7]([B:9]2[O:10][C:11]([CH3:12])([CH3:13])[C:14]([CH3:15])([CH3:16])[O:17]2)[cH:8]1.[CH:38]1([P:39]([CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2-[c:52]2[c:53]([CH:54]([CH3:55])[CH3:56])[cH:57][c:58]([CH:59]([CH3:60])[CH3:61])[cH:62][c:63]2[CH:64]([CH3:65])[CH3:66])[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1.[Cs+:76].[Cs+:77].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:135]1[CH2:136][CH2:137][O:138][CH2:139][CH2:140]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[OH2:134].[Pd:78].[Pd:79]>>[CH3:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7](-[c:19]2[cH:20][n:21][c:22]([C:24]3([OH:37])[CH2:25][CH2:26][CH:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]3)[s:23]2)[cH:8]1