HRID152038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7392

4-tert-Butylcyclohexanone

C10H18O

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

HCID11594543

4-(6,7-DIMETHOXY-QUINOLIN-4-YLOXY)-PHENYLAMINE

C17H16N2O3

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC4CCC(C(C)(C)C)CC4)cc3)c2cc1OC

HCID10113795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5d263722b4d488aba556248eceed2c1
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

[C:23]([CH3:24])([CH3:25])([CH3:26])[CH:27]1[CH2:28][CH2:29][C:30](=[O:33])[CH2:31][CH2:32]1.[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH2:20])[cH:21][cH:22]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Na+:47].[OH2:48]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH:20][CH:30]4[CH2:29][CH2:28][CH:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:32][CH2:31]4)[cH:21][cH:22]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]