HRID320252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8071

未命名化合物

PRODUCTS

产物

HCID66672137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1539baae510642f0b09c413faf2bdf1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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