HRID292625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8021

Diethylamine

C4H11N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID16227221

5-Phenylthiophene-3-carboxylic acid

C11H8O2S

HCID53393482

4,4-Difluoroazepane

C6H11F2N

PRODUCTS

生成物

结构：O=C(c1csc(-c2ccccc2)c1)N1CCCC(F)(F)CC1

HCID44226682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fad7411bdd024355ac9301703202bf3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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