HRID1203305

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID25220793

6-Bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C7H4BrN3O2

结构：CC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1

HCID65449001

未命名化合物

PRODUCTS

生成物

结构：CC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1C(=O)c1cnn2cc(Br)cnc12

HCID77158108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-159e685b8da442e28794ced2771b389e
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

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