HRID214940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID2736085

2,5-Dichloronicotinic acid

C6H3Cl2NO2

结构：CC(C)(C)c1ccc(CNCCc2ccc(Cl)c(Cl)c2)cc1

HCID68563688

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2cc(Cl)cnc2Cl)cc1

HCID24738250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43ea3c6de0f44bf788a145c97b631338
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

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