HRID820860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1004

Phosphoric acid

H3O4P

结构：CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1

HCID5381

Tazarotene

C21H21NO2S

HCID7969

Benzenethiol

C6H6S

HCID70092

2-Butene, 1-bromo-3-methyl-

C5H9Br

HCID10932539

6-Ethynyl-4,4-dimethylthiochroman

C13H14S

结构：CC(C)=CC(SC(C=C(C)C)c1ccccc1)c1ccccc1

HCID54518102

未命名化合物

PRODUCTS

生成物

HCID11019430

4,4-dimethylthiochroman

C11H14S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90c087ea8d5b48df89c5f505587f49d0
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:47][CH2:48][CH:49]=[C:50]([CH3:51])[CH3:52].[CH3:1][CH2:2][O:3][C:4]([c:5]1[cH:6][n:7][c:8]([C:9]#[C:10][c:14]2[cH:15][cH:16][c:17]3[c:24]([cH:25]2)[C:21]([CH3:22])([CH3:23])[CH2:20][CH2:19][S:18]3)[cH:11][cH:12]1)=[O:13].[CH3:26][C:27]1([CH3:28])[c:29]2[c:30]([cH:31][cH:32][c:33]([C:34]#[CH:35])[cH:36]2)[S:37][CH2:38][CH2:39]1.[CH3:60][C:61](=[O:62])[CH3:63].[Na+:54].[OH-:53].[P:55](=[O:56])([OH:57])([OH:58])[OH:59].[SH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[c:64]1([CH:65]([S:66][CH:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[CH:74]=[C:75]([CH3:76])[CH3:77])[CH:78]=[C:79]([CH3:80])[CH3:81])[cH:82][cH:83][cH:84][cH:85][cH:86]1.[cH:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1>>[cH:14]1[cH:15][cH:16][c:17]2[c:24]([cH:25]1)[C:21]([CH3:22])([CH3:23])[CH2:20][CH2:19][S:18]2