HRID1537490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID80580

Benzoic acid, 3-iodo-5-nitro-

C7H4INO4

HCID123458

1-Methoxy-2-propylamine

C4H11NO

PRODUCTS

生成物

结构：COCC(C)NC(=O)c1cc(I)cc([N+](=O)[O-])c1

HCID57851319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-238a0ca4d6fb4add8bb01780ef5c5fdb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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