HRID165971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID88279

Pyrazinecarbonyl chloride

C5H3ClN2O

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCNC3)cc1

HCID66687592

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(C(=O)c2cnccn2)C3)cc1

HCID67182406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-843e3f210b2541c0b3fd0645ffc5b48e
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[CH:24]([CH3:29])[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.[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[n:44]1[c:45]([C:50](=[O:51])[Cl:52])[cH:46][n:47][cH:48][cH:49]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[CH:24]([CH3:29])[CH2:25][O:26][CH2:27][CH2:28]3)[c:16]3[c:17]([n:18]2)[CH2:19][N:20]([C:50]([c:45]2[n:44][cH:49][cH:48][n:47][cH:46]2)=[O:51])[CH2:21][CH2:22]3)[cH:11][cH:12]1