HRID318563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID16086086

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

C14H19BO4

结构：COc1ccc(S(=O)(=O)[O-])c(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID86314534

未命名化合物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2cnc(OS(=O)(=O)C(F)(F)F)cc12

HCID86639960

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2cnc(-c3cc(C(=O)O)ccc3C)cc12

HCID67217737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccd31a6bc600452b9ee2dc5892b2c956
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][c:42]1[c:43]([B:51]2[O:52][C:53]([CH3:54])([CH3:55])[C:56]([CH3:57])([CH3:58])[O:59]2)[cH:44][c:45]([C:46](=[O:47])[OH:48])[cH:49][cH:50]1.[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[c:16]([O:17][CH3:18])[cH:19][cH:20][c:21]([S:22]([O-:23])(=[O:24])=[O:25])[c:26]2[O:27][CH3:28])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1.[Cs+:39].[Cs+:40].[F:60][C:61]([F:62])([F:63])[S:64]([O:65][c:66]1[cH:67][c:68]2[c:69]([cH:70][n:71]1)[o:72][c:73](-[c:79]1[cH:80][cH:81][c:82]([F:85])[cH:83][cH:84]1)[c:74]2[C:75]([NH:76][CH3:77])=[O:78])(=[O:86])=[O:87].[Na+:34].[O:88]=[CH:89][N:90]([CH3:91])[CH3:92].[OH2:93]>>[CH3:41][c:42]1[c:43](-[c:66]2[cH:67][c:68]3[c:69]([cH:70][n:71]2)[o:72][c:73](-[c:79]2[cH:80][cH:81][c:82]([F:85])[cH:83][cH:84]2)[c:74]3[C:75]([NH:76][CH3:77])=[O:78])[cH:44][c:45]([C:46](=[O:47])[OH:48])[cH:49][cH:50]1