HRID172922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID78575

2,3-Dichloropyrazine

C4H2Cl2N2

HCID81531

Diisopropylethylamine

C8H19N

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)cc1

HCID46913071

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2nccnc2Cl)C3)cc1

HCID59239420

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-196aae61a94148b8905a97c3909ea26d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[c:16]3[c:17]([n:18]2)[CH2:19][NH:20][CH2:21][CH2:22]3)[cH:11][cH:12]1.[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:29][c:30]1[n:31][cH:32][cH:33][n:34][c:35]1[Cl:36]>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[c:16]3[c:17]([n:18]2)[CH2:19][N:20]([c:35]2[c:30]([Cl:29])[n:31][cH:32][cH:33][n:34]2)[CH2:21][CH2:22]3)[cH:11][cH:12]1