HRID200005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID91867

2,4-Difluorobenzyl alcohol

C7H6F2O

HCID54724170

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccncc1

HCID10194628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e14471a158ef4c0eb2e1bbf4734f0ac4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:44][c:45]1[c:46](=[O:60])[n:47]([CH2:53][c:54]2[cH:55][cH:56][n:57][cH:58][cH:59]2)[c:48]([CH3:52])[cH:49][c:50]1[OH:51].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[F:1][c:2]1[c:3]([CH2:4][OH:5])[cH:6][cH:7][c:8]([F:10])[cH:9]1.[O:30]=[C:31]([O:32][CH:33]([CH3:34])[CH3:35])[N:36]=[N:37][C:38]([O:39][CH:40]([CH3:41])[CH3:42])=[O:43].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[c:11]1([P:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[F:1][c:2]1[c:3]([CH2:4][O:5][c:50]2[c:45]([Br:44])[c:46](=[O:60])[n:47]([CH2:53][c:54]3[cH:55][cH:56][n:57][cH:58][cH:59]3)[c:48]([CH3:52])[cH:49]2)[cH:6][cH:7][c:8]([F:10])[cH:9]1