HRID194325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID27871

Dimethylthiocarbamoyl chloride

C3H6ClNS

HCID31275

1,4-Dioxane

C4H8O2

HCID53302018

4'-tert-Butyl-2,6-dimethyl[1,1'-biphenyl]-4-ol

C18H22O

PRODUCTS

生成物

结构：Cc1cc(OC(=S)N(C)C)cc(C)c1-c1ccc(C(C)(C)C)cc1

HCID86625171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e4b9933b44e4cc9bb58246866546b28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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