HRID114704

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID551074

N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2

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

HCID178461133

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(-n2cnc(C(C)(F)F)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12

HCID44555792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab2a16e4d9494b6f815f6490f3f65fa0
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: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].[CH3:42][NH:43][CH:44]1[CH2:45][CH2:46][CH2:47][CH2:48][CH:49]1[NH:50][CH3:51].[Cu:64][I:65].[F:33][C:34]([CH3:35])([F:36])[c:37]1[n:38][nH:39][cH:40][n:41]1.[K+:52].[K+:53].[O-:54][C:55]([O-:56])=[O:57].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1>>[c:2]1(-[n:39]2[n:38][c:37]([C:34]([F:33])([CH3:35])[F:36])[n:41][cH:40]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]