HRID804057

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID20074038

4-(4-Phenylbutoxy)aniline

C16H19NO

结构：O=C(O)c1cccc([N+](=O)[O-])c1OCc1ccccc1

HCID22272669

3-Nitro-2-(phenylmethoxy)benzoic acid

C14H11NO5

PRODUCTS

生成物

结构：O=C(Nc1ccc(OCCCCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1OCc1ccccc1

HCID23124755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ee525151c024a29bda4961e0b717f16
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

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]([C:11](=[O:12])[OH:13])[cH:14][cH:15][cH:16][c:17]1[N+:18](=[O:19])[O-:20].[CH2:33]([N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])[CH3:43].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[ClH:32].[OH2:21].[OH2:67].[OH:22][n:23]1[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1.[c:44]1([CH2:50][CH2:51][CH2:52][CH2:53][O:54][c:55]2[cH:56][cH:57][c:58]([NH2:61])[cH:59][cH:60]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11](=[O:13])[NH:61][c:58]2[cH:57][cH:56][c:55]([O:54][CH2:53][CH2:52][CH2:51][CH2:50][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[cH:60][cH:59]2)[cH:14][cH:15][cH:16][c:17]1[N+:18](=[O:19])[O-:20]