HRID1572245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

结构：O=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1

HCID3675708

未命名化合物

HCID5360545

Sodium

3 次

HCID58051755

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2ccc(F)cc2)c2ccn(C)c2c1

HCID66661499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7bfb70f8ae747d3b99f18ed9040640a
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:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH3:15])[c:7]2[cH:8][c:9]([C:11](=[O:12])[O:13][CH3:14])[cH:10]1.[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[CH3:83][N:84]([CH3:85])[CH:86]=[O:87].[CH:60]([NH:61][CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[F:16][c:17]1[cH:18][cH:19][c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]1.[Na:26].[Na:27].[Na:28].[O-:68][C:69]([CH3:70])=[O:71].[O-:72][C:73]([CH3:74])=[O:75].[OH2:82].[P:29]([c:30]1[cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38][cH:39]1)([c:40]1[cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48][cH:49]1)[c:50]1[cH:51][c:52]([S:53]([OH:54])(=[O:55])=[O:56])[cH:57][cH:58][cH:59]1.[Pd+2:67]>>[c:2]1(-[c:20]2[cH:19][cH:18][c:17]([F:16])[cH:22][cH:21]2)[c:3]2[cH:4][cH:5][n:6]([CH3:15])[c:7]2[cH:8][c:9]([C:11](=[O:12])[O:13][CH3:14])[cH:10]1