HRID292208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID170235

Benzoyl chloride, 4-(hexyloxy)-

C13H17ClO2

HCID178466631

未命名化合物

PRODUCTS

生成物

结构：CCCCCCOc1ccc(C(=O)Nc2ccccc2Oc2cccc(OC(C)c3nnn[nH]3)c2)cc1

HCID178444959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53af57fce7bc41d3b6cd5b5d72ea7d5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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