HRID1235924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8072

2-(Ethylamino)ethanol

C4H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID13831

Tributylphosphine

C12H27P

HCID73042

1,1′-(1,2-Diazenediyl)bis[1-(1-piperidinyl)methanone]

C12H20N4O2

结构：CCOC(=O)CCc1ccc(OCc2cccc(-c3c(C)cc(O)cc3C)c2)cc1F

HCID58903128

未命名化合物

PRODUCTS

生成物

结构：CCNCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)OCC)c(F)c3)c2)c(C)c1

HCID58903118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9feb00912904ad3b6e9627c4ebed00a
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:69](=[O:70])([O-:71])[OH:72].[CH2:32]([CH3:33])[NH:34][CH2:35][CH2:36][OH:37].[CH2:38]([P:39]([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH3:50].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[CH3:85][CH2:86][O:87][CH2:88][CH3:89].[F:1][c:2]1[c:3]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][c:12](-[c:16]3[c:17]([CH3:24])[cH:18][c:19]([OH:23])[cH:20][c:21]3[CH3:22])[cH:13][cH:14][cH:15]2)[cH:7]1.[N:51]([C:52]([N:53]1[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1)=[O:59])=[N:60][C:61]([N:62]1[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1)=[O:68].[Na+:73].[O:74]1[CH2:75][CH2:76][CH2:77][CH2:78]1>>[F:1][c:2]1[c:3]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][c:12](-[c:16]3[c:17]([CH3:24])[cH:18][c:19]([O:23][CH2:36][CH2:35][NH:34][CH2:32][CH3:33])[cH:20][c:21]3[CH3:22])[cH:13][cH:14][cH:15]2)[cH:7]1