HRID2348199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6362

2-Iodopropane

C3H7I

HCID81531

Diisopropylethylamine

C8H19N

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4CC)n2)CCNC3)cc1

HCID67178682

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4CC)n2)CCN(C(C)C)C3)cc1

HCID67176770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84417097bd6149a2a201ef5c1334ffab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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]([CH2:29][CH3:30])[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.[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[CH:36]([CH3:37])([CH3:38])[N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44].[CH:45]([I:46])([CH3:47])[CH3:48]>>[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]([CH2:29][CH3:30])[CH2:25][O:26][CH2:27][CH2:28]3)[c:16]3[c:17]([n:18]2)[CH2:19][N:20]([CH:36]([CH3:37])[CH3:38])[CH2:21][CH2:22]3)[cH:11][cH:12]1