HRID88226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID6775

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

C8Cl2N2O2

HCID8857

Ethyl acetate

C4H8O2

结构：COc1ccc(COC(c2ccc(OC(COc3ccc(C=O)cc3)c3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)cc1

HCID87604503

未命名化合物

PRODUCTS

生成物

结构：O=Cc1ccc(OCC(Oc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c2ccccc2)cc1

HCID87604907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaaf2eed0d654c9c87da179fe0c247fe
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

[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[Cl:44][CH:45]([Cl:46])[CH3:47].[Cl:48][C:49]1=[C:60]([Cl:61])[C:58](=[O:59])[C:55]([C:56]#[N:57])=[C:52]([C:53]#[N:54])[C:50]1=[O:51].[Cl:63][CH2:64][Cl:65].[OH2:62].[c:1]1([CH:7]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH:14]=[O:15])[cH:16][cH:17]2)[O:18][c:19]2[cH:20][cH:21][c:22]([C:25]([C:26]([F:27])([F:28])[F:29])([C:30]([F:31])([F:32])[F:33])[O:34][CH2:35][c:36]3[cH:37][cH:38][c:39]([O:40][CH3:41])[cH:42][cH:43]3)[cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH:14]=[O:15])[cH:16][cH:17]2)[O:18][c:19]2[cH:20][cH:21][c:22]([C:25]([C:26]([F:27])([F:28])[F:29])([C:30]([F:31])([F:32])[F:33])[OH:34])[cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1