HRID148190

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID70849

Etidin

C13H19NO4

结构：CC(C)(C)c1cc(C=C2SC(=S)NC2=O)cc(C(C)(C)C)c1O

HCID3071511

5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-thioxo-4-thiazolidinone

C18H23NO2S2

PRODUCTS

生成物

HCID9968356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ae04ea8f87548a1b6ee1cb78a11994f
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

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