HRID1558334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID215850

1-Methyl-1,2,3,4-tetrahydroquinoxaline

C9H12N2

HCID4641409

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

C10H15N6O+

HCID16795996

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=O)c2cccnc2Oc2cc(Cl)ccc2Cl)c2ccccc21

HCID45273910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e7c0ad58c5640c9a034bbf408a019f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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