HRID88947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID84944

Propanoyl chloride, 3-bromo-

C3H4BrClO

结构：Nc1cccc(-c2n[nH]c(C3CCCCN3C(=O)COc3ccccc3)n2)c1

HCID68687138

未命名化合物

PRODUCTS

生成物

结构：O=C1CCN1c1cccc(-c2n[nH]c(C3CCCCN3C(=O)COc3ccccc3)n2)c1

HCID68688177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e0a57cc83914cdbbd36595a4512835a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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