HRID1128472

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

HCID2795550

1-[3-(Morpholin-4-yl)phenyl]methanamine

C11H16N2O

HCID58710571

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1nc(-c2cccc(CNCc3cccc(N4CCOCC4)c3)c2)cnc1N

HCID68651841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb825f369e234e73af29a1d2c5b3506d
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

[F:55][C:56]([F:57])([F:58])[C:59]([OH:60])=[O:61].[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:12]2[cH:13][c:14]([C:15]([OH:16])=[O:17])[cH:18][cH:19][cH:20]2)[n:6][c:7]1[C:8](=[O:9])[NH:10][CH3:11].[O:62]1[CH2:63][CH2:64][N:65]([c:68]2[cH:69][c:70]([CH2:74][NH2:75])[cH:71][cH:72][cH:73]2)[CH2:66][CH2:67]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH-:76].[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]([CH2:15][NH:75][CH2:74][c:70]3[cH:69][c:68]([N:65]4[CH2:64][CH2:63][O:62][CH2:67][CH2:66]4)[cH:73][cH:72][cH:71]3)[cH:18][cH:19][cH:20]2)[n:6][c:7]1[C:8](=[O:9])[NH:10][CH3:11]