HRID126299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

结构：Cc1cc(CNC(=O)c2sc(C)c3c2CC2C3C2(C)C)cc(C)c1OCC1COC(C)(C)OC1

HCID178426585

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CNC(=O)c2sc(C)c3c2CC2C3C2(C)C)cc(C)c1OCC(CO)CO

HCID178426586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ffc48271f3042898a2a894e3a118f5c
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

[CH3:1][C:2]1([CH3:34])[O:3][CH2:4][CH:5]([CH2:8][O:9][c:10]2[c:11]([CH3:33])[cH:12][c:13]([CH2:14][NH:15][C:16](=[O:17])[c:18]3[c:19]4[c:23]([c:24]([CH3:26])[s:25]3)[CH:22]3[CH:21]([CH2:20]4)[C:27]3([CH3:28])[CH3:29])[cH:30][c:31]2[CH3:32])[CH2:6][O:7]1.[CH3:35][C:36](=[O:37])[OH:38].[OH2:39]>>[OH:3][CH2:4][CH:5]([CH2:6][OH:7])[CH2:8][O:9][c:10]1[c:11]([CH3:33])[cH:12][c:13]([CH2:14][NH:15][C:16](=[O:17])[c:18]2[c:19]3[c:23]([c:24]([CH3:26])[s:25]2)[CH:22]2[CH:21]([CH2:20]3)[C:27]2([CH3:28])[CH3:29])[cH:30][c:31]1[CH3:32]