HRID282679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID3513851

BEMP phosphazene

C13H31N4P

HCID4400782

4-(Dimethylamino)benzoyl chloride

C9H10ClNO

结构：COC(=O)c1cc(Cl)c(N2CCN(C(=O)c3c(-c4ccccc4OC)noc3C)CC2)cc1N

HCID66691522

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Cl)c(N2CCN(C(=O)c3c(-c4ccccc4OC)noc3C)CC2)cc1NC(=O)c1ccc(N(C)C)cc1

HCID66692078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08ad421b305043f9b53114c2ff32f056
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:47]([N:48]=[P:49]1([N:50]([CH2:51][CH3:52])[CH2:53][CH3:54])[N:55]([CH3:56])[CH2:57][CH2:58][CH2:59][N:60]1[CH3:61])([CH3:62])([CH3:63])[CH3:64].[CH3:35][N:36]([c:37]1[cH:38][cH:39][c:40]([C:41](=[O:42])[Cl:43])[cH:44][cH:45]1)[CH3:46].[CH3:65][N:66]([CH3:67])[c:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1.[NH2:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([Cl:34])[c:10]([N:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[c:20]3[c:21](-[c:26]4[c:27]([O:32][CH3:33])[cH:28][cH:29][cH:30][cH:31]4)[n:22][o:23][c:24]3[CH3:25])[CH2:16][CH2:17]2)[cH:11]1>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([Cl:34])[c:10]([N:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[c:20]3[c:21](-[c:26]4[c:27]([O:32][CH3:33])[cH:28][cH:29][cH:30][cH:31]4)[n:22][o:23][c:24]3[CH3:25])[CH2:16][CH2:17]2)[cH:11]1)[C:41]([c:40]1[cH:39][cH:38][c:37]([N:36]([CH3:35])[CH3:46])[cH:45][cH:44]1)=[O:42]