HRID174221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID3086355

4'-Heptyl[1,1'-biphenyl]-4-carboxylic acid

C20H24O2

PRODUCTS

生成物

结构：CCCCCCCc1ccc(-c2ccc(C(=O)n3n[n+]([O-])c4ccccc43)cc2)cc1

HCID21182269

1-[4-(4-Heptylphenyl)benzoyl]benzotriazole 3-oxide

C26H27N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0044cb6bfbbf4224a814e922a9cb74b2
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

[CH2:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[c:18]1[cH:19][cH:20][c:21](-[c:24]2[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]2)[cH:22][cH:23]1.[CH2:34]([N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[CH3:44].[Cl:46][CH2:47][Cl:48].[ClH:33].[OH2:45].[OH:1][n:2]1[n:3][n:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2>>[O-:1][n+:2]1[n:3][n:4]([C:28]([c:27]2[cH:26][cH:25][c:24](-[c:21]3[cH:20][cH:19][c:18]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[cH:23][cH:22]3)[cH:32][cH:31]2)=[O:29])[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2