HRID304780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID7408

(1-Aminoethyl)benzene

C8H11N

HCID81531

Diisopropylethylamine

C8H19N

结构：CN1C(=O)C(C)(C)CN(C2CCCC2)c2nc(Cl)ncc21

HCID59295116

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C)c1ccccc1

HCID44612046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bb772a19f9349858e3260d1baa31029
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

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