HRID701742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53167

1-Methylpiperazine

C5H12N2

HCID81531

Diisopropylethylamine

C8H19N

结构：N#Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)c1

HCID57496178

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=N)c2cccc(NC(=O)Nc3ccc(S(=O)(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)c2)CC1

HCID57496141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51727db0da13457392acf30115f6e16f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:9][C:10]([NH:11][c:12]2[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[NH:21][c:22]3[cH:23][cH:24][c:25]([S:28]([NH2:29])(=[O:30])=[O:31])[cH:26][cH:27]3)[cH:16][cH:17]2)=[O:32])[cH:6][cH:7][cH:8]1.[CH3:33][N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48]>>[C:1](=[NH:2])([c:3]1[cH:4][c:5]([NH:9][C:10]([NH:11][c:12]2[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[NH:21][c:22]3[cH:23][cH:24][c:25]([S:28]([NH2:29])(=[O:30])=[O:31])[cH:26][cH:27]3)[cH:16][cH:17]2)=[O:32])[cH:6][cH:7][cH:8]1)[N:37]1[CH2:36][CH2:35][N:34]([CH3:33])[CH2:39][CH2:38]1