HRID174982

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

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

HCID68444133

未命名化合物

HCID68445837

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccccc1Nc1nc2ccc(C(=O)Nc3ccc4c(NC(=O)C5CCN(C)CC5)n[nH]c4c3)cc2[nH]1

HCID59522610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a61e26576714a65be0fe6b7e241b0dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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