HRID1212661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6329

Methylamine

CH5N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

结构：CC(C)(C)c1cc([N+](=O)[O-])c(C(=O)O)[nH]1

HCID18322391

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1[nH]c(C(C)(C)C)cc1[N+](=O)[O-]

HCID18322357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8da6566642824a99bd84c144f564bdd9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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