HRID2142737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID3043736

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

产物

HCID3043737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-63c1f4d8f2c8481fbacfb8ee8e6dfb3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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