HRID116924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID95750

3-(4-Methoxyphenyl)propanoic acid

C10H12O3

HCID3478291

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCc1ccc(OC)cc1

HCID57316464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07834e2ca393451280b0c8c5bad3791b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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