HRID97325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

结构：COc1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1OCc1ccccc1

HCID22935410

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc(N)cc3F)ccnc2cc1OCc1ccccc1

HCID59792039

4-[[7-[(Benzyl)oxy]-6-methoxyquinolin-4-yl]oxy]-3-fluorobenzenamine

C23H19FN2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e88a23fca77b40d3bd956954f58cce3d
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:30][CH3:31])[cH:11][c:12]2[c:13]([O:19][c:20]3[c:21]([F:29])[cH:22][c:23]([N+:26]([O-:27])=[O:28])[cH:24][cH:25]3)[cH:14][cH:15][n:16][c:17]2[cH:18]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][OH:40].[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:30][CH3:31])[cH:11][c:12]2[c:13]([O:19][c:20]3[c:21]([F:29])[cH:22][c:23]([NH2:26])[cH:24][cH:25]3)[cH:14][cH:15][n:16][c:17]2[cH:18]1