HRID204849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID102688

Phenylalanine ethyl ester

C11H15NO2

结构：O=C(O)c1ccc(Cn2ccc3cc([N+](=O)[O-])ccc32)cc1

HCID59216708

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cn2ccc3cc([N+](=O)[O-])ccc32)cc1

HCID178470885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfb0a152adfa4957aff16811b37113ad
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

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