HRID184502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O

HCID118071

未命名化合物

HCID269722

1-(4-Methoxyphenyl)piperazine

C11H16N2O

PRODUCTS

生成物

结构：COc1ccc(N2CCN(C(=O)C(Cc3ccc([N+](=O)[O-])cc3)NC(=O)OC(C)(C)C)CC2)cc1

HCID19796302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eaebfd10b304c819c8b67def449dd96
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1)[C:20](=[O:21])[OH:22].[CH2:81]([Cl:82])[Cl:83].[CH3:25][O:26][c:27]1[cH:28][cH:29][c:30]([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:31][cH:32]1.[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[CH:50]1([N:51]=[C:52]=[N:53][CH:54]2[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]2)[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[CH:77]([Cl:78])([Cl:79])[Cl:80].[ClH:23].[ClH:24].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH2:39].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1)[C:20](=[O:22])[N:36]1[CH2:35][CH2:34][N:33]([c:30]2[cH:29][cH:28][c:27]([O:26][CH3:25])[cH:32][cH:31]2)[CH2:38][CH2:37]1