HRID1238740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID887

Methanol

CH4O

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID105144

Palladium(2+)

Pd+2

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID2795502

4-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine

C17H26BNO3

结构：CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(Cl)cc1N(CC)C1CCOCC1

HCID70872261

未命名化合物

PRODUCTS

生成物

结构：CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(-c2ccc(CN3CCOCC3)cc2)cc1N(CC)C1CCOCC1

HCID70872679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48cdfba80e1f48999b1ee5d9c8ebc2fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:84]([O-:85])(=[O:86])[CH3:87].[C:88]([O-:89])(=[O:90])[CH3:91].[CH3:62][C:63]1([CH3:64])[C:65]([CH3:66])([CH3:67])[O:68][B:69]([c:70]2[cH:71][cH:72][c:73]([CH2:74][N:75]3[CH2:76][CH2:77][O:78][CH2:79][CH2:80]3)[cH:81][cH:82]2)[O:83]1.[CH3:93][OH:94].[CH3:95][O:96][CH2:97][CH2:98][O:99][CH2:100][CH2:101][O:102][CH3:103].[CH:32]1([P:33]([CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2-[c:46]2[c:47]([N:48]([CH3:49])[CH3:50])[cH:51][cH:52][cH:53][cH:54]2)[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[Cl:1][c:2]1[cH:3][c:4]([N:23]([CH:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[CH2:30][CH3:31])[c:5]([CH2:21][CH3:22])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1.[Cs+:61].[F-:60].[Pd+2:92]>>[c:2]1(-[c:70]2[cH:71][cH:72][c:73]([CH2:74][N:75]3[CH2:76][CH2:77][O:78][CH2:79][CH2:80]3)[cH:81][cH:82]2)[cH:3][c:4]([N:23]([CH:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[CH2:30][CH3:31])[c:5]([CH2:21][CH3:22])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1