HRID163827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID327952

imidazo[1,2-a]pyridin-5-amine

C7H7N3

HCID67413810

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc2nccn12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

HCID46234467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac44ffd62b78476a8dd3abf6c0efc038
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH3:51][N:52]([c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1)[CH3:59].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:12][c:13]1[cH:14][cH:15][c:16]([O:17][c:18]2[cH:19][c:20]([CH2:21][N:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[cH:28][cH:29][cH:30]2)[cH:31][cH:32]1.[Cl:48][CH2:49][Cl:50].[ClH:11].[n:1]1[cH:2][cH:3][n:4]2[c:5]1[cH:6][cH:7][cH:8][c:9]2[NH2:10]>>[n:1]1[cH:2][cH:3][n:4]2[c:5]1[cH:6][cH:7][cH:8][c:9]2[NH:10][C:43]([N:25]1[CH2:24][CH2:23][N:22]([CH2:21][c:20]2[cH:19][c:18]([O:17][c:16]3[cH:15][cH:14][c:13]([Cl:12])[cH:32][cH:31]3)[cH:30][cH:29][cH:28]2)[CH2:27][CH2:26]1)=[O:44]