HRID298896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID559033

2-Benzylpiperazine

C11H16N2

结构：CSc1nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c2nncn12

HCID22346600

未命名化合物

PRODUCTS

生成物

结构：c1ccc(CC2CN(c3nc(-c4ccncc4)c(-c4ccc5ccccc5c4)c4nncn34)CCN2)cc1

HCID22346582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89e9774156424e66856889cf0cc97200
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

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