HRID836689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID53167

1-Methylpiperazine

C5H12N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)O)ccc1[N+](=O)[O-]

HCID18791476

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-]

HCID18791440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e2933039b54415abe9ae29654b8258b
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

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