HRID142797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID612

Lactic acid

C3H6O3

HCID962

Water

H2O

结构：CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nn12

HCID135544141

未命名化合物

PRODUCTS

生成物

HCID612

Lactic acid

C3H6O3

HCID135544141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6476c8ba0c84f40ae24bfbd0c6757b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[c:20]2[n:21][n:22]3[c:23]([c:24](=[O:26])[nH:25]2)[c:27]([CH3:33])[n:28][c:29]3[CH2:30][CH2:31][CH3:32])[cH:6][c:7]([S:10](=[O:11])(=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]2)[cH:8][cH:9]1.[CH3:34][CH:35]([OH:36])[C:37]([OH:38])=[O:39].[OH2:40]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[c:20]2[n:21][n:22]3[c:23]([c:24](=[O:26])[nH:25]2)[c:27]([CH3:33])[n:28][c:29]3[CH2:30][CH2:31][CH3:32])[cH:6][c:7]([S:10](=[O:11])(=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]2)[cH:8][cH:9]1.[CH3:34][CH:35]([OH:36])[C:37](=[O:38])[OH:39]