HRID1564122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID23978

Copper

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

PRODUCTS

生成物

结构：COc1cnc(-n2cncn2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12

HCID44555546

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94492e01f4364d29903f3776e4abf669
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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