HRID209554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6775

2,3-Dichloro-5,6-dicyano-p-benzoquinone

C8Cl2N2O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID12580

4-Propylphenol

C9H12O

结构：CCCCCOc1ccc(-c2ccc(C(=O)O)cc2)c(F)c1F

HCID19103525

未命名化合物

HCID19103800

1,2-Difluoro-3-(pentyloxy)benzene

C11H14F2O

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(CCC)cc3)cc2)c(F)c1F

HCID19103785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4b7ea94ff1442d68fd26892d2cc3a28
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

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