HRID2314635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

结构：CN(C)C(=O)C(Cc1ccc(Oc2ccc(C(=O)O)cn2)cc1)NC(=O)OC(C)(C)C

HCID69113845

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)C(Cc1ccc(Oc2ccc(C(=O)NO)cn2)cc1)NC(=O)OC(C)(C)C

HCID72575122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1b38aa94232424ebc785e9646c055ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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