HRID2348229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID771938

6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C7H4BrN3O2

HCID6485295

4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C8H11NS

PRODUCTS

生成物

HCID24898763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b49c8085f8e488f973d5b639ee16f20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[B-:14]([F:15])([F:16])([F:17])[F:18].[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]([cH:7]1)[n:8][c:9]([C:11](=[O:12])[OH:13])[cH:10]2.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][CH:44]1[NH:45][CH2:46][CH2:47][c:48]2[c:49]1[cH:50][cH:51][s:52]2.[CH3:53][C:54]#[N:55].[OH2:56].[n:19]1([O:20][C:21]([N:22]([CH3:23])[CH3:24])=[N+:25]([CH3:26])[CH3:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]([cH:7]1)[n:8][c:9]([C:11](=[O:13])[N:45]1[CH:44]([CH3:43])[c:49]3[c:48]([s:52][cH:51][cH:50]3)[CH2:47][CH2:46]1)[cH:10]2