HRID86646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：CC(OC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1

HCID20400484

未命名化合物

HCID66673332

未命名化合物

PRODUCTS

生成物

结构：CCC1(CC)c2cc(C(N)=O)ccc2CC(OC)C1NC(=O)OC(C)c1ccccc1

HCID178435531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92b0559a0e7c441a8711139f8d4cb91d
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

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