HRID2128820

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

HCID53415366

1H-Indazole-3,6-diamine

C7H8N4

HCID178524174

未命名化合物

PRODUCTS

生成物

结构：Nc1n[nH]c2cc(NC(=O)c3ccc4[nH]c(Nc5ccccn5)nc4c3)ccc12

HCID178509213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89bf122d88a24eefa5844bf0656c1162
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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