HRID2320652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID13821101

未命名化合物

反应SMILES：Brc1ccc(-c2cnc(C3CCCN3)[nH]2)c2ccccc12

HCID66620116

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(Br)c3ccccc23)[nH]1)C(C)C

HCID66620068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-95e980739ee94439888fc9bbb6468e33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:12]2[cH:13][n:14][c:15]([CH:17]3[NH:18][CH2:19][CH2:20][CH2:21]3)[nH:16]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[CH3:22][O:23][C:24](=[O:25])[NH:26][CH:27]([C:28](=[O:29])[OH:30])[CH:31]([CH3:32])[CH3:33].[CH3:58][N:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:12]2[cH:13][n:14][c:15]([CH:17]3[N:18]([C:28]([CH:27]([NH:26][C:24]([O:23][CH3:22])=[O:25])[CH:31]([CH3:32])[CH3:33])=[O:29])[CH2:19][CH2:20][CH2:21]3)[nH:16]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12