HRID1127710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID68226493

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(=O)NCc2cccc3[nH]ncc23)sc1C(=O)OC

HCID68226682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a40b7a316d44e6e87fe8434c0730ea3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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[CH2:10][CH3:11].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[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:56]1[n:57][cH:58][c:59]2[c:60]([CH2:65][NH2:66])[cH:61][cH:62][cH:63][c:64]12>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:12](=[O:14])[NH:66][CH2:65][c:60]2[c:59]3[cH:58][n:57][nH:56][c:64]3[cH:63][cH:62][cH:61]2)[cH:8][c:9]1[CH2:10][CH3:11]