HRID1202115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID16502

3′-Bromoacetophenone

C8H7BrO

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID92640

Propanoic acid, 3-mercapto-, 2-ethylhexyl ester

C11H22O2S

HCID119440

1-Hydroxyethyl radical

C2H5O-

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID86640956

未命名化合物

PRODUCTS

生成物

HCID4713207

3'-Mercaptoacetophenone

C8H8OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df3dc6fc337f493f86a1fa33fac1b8da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:8]([CH3:9])=[O:10])[cH:5][cH:6][cH:7]1.[CH2:102]1[O:103][CH2:104][CH2:105][O:106][CH2:107]1.[CH2:20]([CH:21]([CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][O:27][C:29](=[O:30])[CH2:31][CH2:32][SH:28])[CH3:33].[CH2:76]([CH:77]([CH2:78][CH2:79][CH2:80][CH3:81])[CH2:82][O:83][C:84](=[S:85])[CH2:86][CH2:87][c:88]1[cH:89][cH:90][cH:91][c:92]([C:93](=[O:94])[CH3:95])[cH:96]1)[CH3:97].[CH3:113][CH2:114][OH:115].[CH3:99][CH2:100][O-:101].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[Na+:98].[O:108]1[CH2:109][CH2:110][CH2:111][CH2:112]1.[OH2:116].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[c:43]3[c:67]([cH:68][cH:69][cH:70]2)[C:64]([CH3:65])([CH3:66])[c:46]2[c:45]([c:50]([P:51]([c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[c:58]4[cH:59][cH:60][cH:61][cH:62][cH:63]4)[cH:49][cH:48][cH:47]2)[O:44]3)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:2]1([SH:28])[cH:3][c:4]([C:8]([CH3:9])=[O:10])[cH:5][cH:6][cH:7]1