HRID684290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID16227938

1H-Indazole-6-carboxylic acid

C8H6N2O2

HCID178438960

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccccc1Nc1nc2ccc(NC(=O)c3ccc4cn[nH]c4c3)cc2[nH]1

HCID59522562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f7b20366b5b4776bfa4e291c97451b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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