HRID103876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID1118

Sulfuric acid

H2O4S

HCID7503

Benzyl chloride

C7H7Cl

HCID8794

Benzyl cyanide

C8H7N

HCID68023

4-Fluorobenzaldehyde

C7H5FO

HCID4409936

未命名化合物

PRODUCTS

生成物

HCID19879670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4c1cc93dc2045b3bcda3803ca7c9db7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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