HRID2316289

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

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

HCID44119277

1-(1H-Indazol-4-yl)methanamine

C8H9N3

HCID68227109

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(C(=O)NCc2cccc3[nH]ncc23)cc1C#N

HCID68226653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d0271f563ca45b99981c7679a2d0631
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

[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:12](=[O:13])[OH:14])[cH:8][c:9]1[C:10]#[N:11].[ClH:56].[ClH:57].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1.[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1.[nH:58]1[n:59][cH:60][c:61]2[c:62]([CH2:67][NH2:68])[cH:63][cH:64][cH:65][c:66]12>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:12](=[O:14])[NH:68][CH2:67][c:62]2[c:61]3[cH:60][n:59][nH:58][c:66]3[cH:65][cH:64][cH:63]2)[cH:8][c:9]1[C:10]#[N:11]