HRID2315355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID56917206

未命名化合物

HCID57590497

7-Bromo-4-methoxy-α-oxo-1H-pyrrolo[2,3-c]pyridine-3-acetic acid

C10H7BrN2O4

PRODUCTS

生成物

结构：COc1cnc(Br)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12

HCID58026039

1-(7-Bromo-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3,4-dihydro-5-(2-pyridinyl)-2(1H)-isoquinolinyl]-1,2-ethanedione

C24H19BrN4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53de139f29964097b713eaee5a43cbf2
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

[Br:17][c:18]1[n:19][cH:20][c:21]([O:32][CH3:33])[c:22]2[c:23]1[nH:24][cH:25][c:26]2[C:27]([C:28](=[O:29])[OH:30])=[O:31].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[n:1]1[c:2](-[c:7]2[c:8]3[c:13]([cH:14][cH:15][cH:16]2)[CH2:12][NH:11][CH2:10][CH2:9]3)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2](-[c:7]2[c:8]3[c:13]([cH:14][cH:15][cH:16]2)[CH2:12][N:11]([C:28]([C:27]([c:26]2[c:22]4[c:21]([O:32][CH3:33])[cH:20][n:19][c:18]([Br:17])[c:23]4[nH:24][cH:25]2)=[O:31])=[O:29])[CH2:10][CH2:9]3)[cH:3][cH:4][cH:5][cH:6]1