HRID178339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

HCID427814

4-Aminobenzylamine

C7H10N2

HCID58710571

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1nc(-c2cccc(C(=O)NCc3ccc(N)cc3)c2)cnc1N

HCID68651458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67e817bb94214d59bd8f1f0e96425aaf
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

[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:12]2[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19][cH:20]2)[n:6][c:7]1[C:8](=[O:9])[NH:10][CH3:11].[NH2:55][CH2:56][c:57]1[cH:58][cH:59][c:60]([NH2:63])[cH:61][cH:62]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1.[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[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>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:12]2[cH:13][c:14]([C:15](=[O:17])[NH:55][CH2:56][c:57]3[cH:58][cH:59][c:60]([NH2:63])[cH:61][cH:62]3)[cH:18][cH:19][cH:20]2)[n:6][c:7]1[C:8](=[O:9])[NH:10][CH3:11]