HRID206467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID72927

Pyridine, 3-(4-aminobutyl)-

C9H14N2

结构：COc1ccc(C(=CC=CC(=O)Oc2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)cc1OC

HCID54128769

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=CC=CC(=O)NCCCCc2cccnc2)c2ccc(OC)c(OC)c2)cc1OC

HCID54382731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f61411b3e5534e31aae7801ad21d9293
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:54]([O:55][CH2:56][CH3:57])(=[O:58])[CH3:59].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[N+:1]([c:2]1[cH:3][cH:4][c:5]([O:10][C:11](=[O:6])[CH:12]=[CH:13][CH:14]=[C:15]([c:16]2[cH:17][c:18]([O:24][CH3:25])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:26]2[cH:27][c:28]([O:34][CH3:35])[c:29]([O:32][CH3:33])[cH:30][cH:31]2)[cH:7][cH:8]1)([O-:9])=[O:36].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[n:37]1[cH:38][c:39]([CH2:43][CH2:44][CH2:45][CH2:46][NH2:47])[cH:40][cH:41][cH:42]1>>[O:10]=[C:11]([CH:12]=[CH:13][CH:14]=[C:15]([c:16]1[cH:17][c:18]([O:24][CH3:25])[c:19]([O:22][CH3:23])[cH:20][cH:21]1)[c:26]1[cH:27][c:28]([O:34][CH3:35])[c:29]([O:32][CH3:33])[cH:30][cH:31]1)[NH:47][CH2:46][CH2:45][CH2:44][CH2:43][c:39]1[cH:38][n:37][cH:42][cH:41][cH:40]1