HRID142071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID292465

3-chloropyrazine-2-carbonitrile

C5H2ClN3

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(c2nccnc2C#N)C3)cc1

HCID59239396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-703d51d06c8947dbb5a2295c71bed601
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.[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:29][c:30]1[c:31]([C:36]#[N:37])[n:32][cH:33][cH:34][n:35]1>>[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:30]2[c:31]([C:36]#[N:37])[n:32][cH:33][cH:34][n:35]2)[CH2:21][CH2:22]3)[cH:11][cH:12]1