HRID163620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID94512

1,2-Benzisothiazole-3-carboxylic acid

C8H5NO2S

HCID408394

8-Methyl-8-azabicyclo[3.2.1]octan-3-amine

C8H16N2

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

HCID44183688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6dcc7591daa44c999f2c8b6184adc0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:24][N:25]1[CH:26]2[CH2:27][CH:28]([NH2:33])[CH2:29][CH:30]1[CH2:31][CH2:32]2.[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH:13]([N:14]([CH2:15][CH3:16])[CH:17]([CH3:18])[CH3:19])([CH3:20])[CH3:21].[ClH:22].[ClH:23].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1.[s:1]1[n:2][c:3]([C:10](=[O:11])[OH:12])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[n:2][c:3]([C:10](=[O:12])[NH:33][CH:28]2[CH2:27][CH:26]3[N:25]([CH3:24])[CH:30]([CH2:29]2)[CH2:31][CH2:32]3)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2