HRID2160445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID70829

4-Bromo-2,6-di-tert-butylphenol

C14H21BrO

HCID21979529

未命名化合物

HCID178503620

未命名化合物

PRODUCTS

生成物

结构：CSc1nnc(Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1

HCID19900658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79996ca73cea4b9ea1ad4655ccdf9197
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:13]([CH3:14])([CH3:15])[CH3:16])[c:5]([OH:12])[c:6]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:7]1.[C:42]([O:43][CH2:44][CH3:45])(=[O:46])[CH3:47].[CH3:17][S:18][c:19]1[n:20][n:21][c:22]([SH:24])[s:23]1.[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[N:25]12[CH2:26][CH2:27][CH2:28][N:29]=[C:30]1[CH2:31][CH2:32][CH2:33][CH:34]=[CH:35]2>>[c:2]1([S:24][c:22]2[n:21][n:20][c:19]([S:18][CH3:17])[s:23]2)[cH:3][c:4]([C:13]([CH3:14])([CH3:15])[CH3:16])[c:5]([OH:12])[c:6]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:7]1