HRID679773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID24905

1H-Indole, 5-bromo-

C8H6BrN

结构：CCN(c1nc(C)cc(C(=O)OC)n1)c1ccc(C(C)C)cc1Br

HCID18323707

未命名化合物

HCID178418306

未命名化合物

HCID178506623

未命名化合物

PRODUCTS

生成物

结构：CCN(c1nc(C)cc(C(=O)c2ccc3[nH]ccc3c2)n1)c1ccc(C(C)C)cc1Br

HCID18323781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e1ccd1f5f4f48e5b3a88c3cbd74105a
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

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