HRID1143716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID735150

4-bromopyridine-2-carboxylic acid

C6H4BrNO2

HCID2554578

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(Br)ccn1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

HCID44612193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76ff4e5927644855b989809f34f26323
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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