HRID2160000

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

HCID45087541

Imidazo[1,2-a]pyridin-7-amine

C7H7N3

HCID67391690

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccn2ccnc2c1)N1CCCC(Cc2cccc(Oc3ccc(F)cc3)c2)C1

HCID46236041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c60a5782bf54359b2aa5ae85bbd6dd6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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