HRID1234340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2782798

4-Trifluoromethylstyrene

C9H7F3

结构：CCOC(=O)CCc1ccc(Oc2ccc(Br)cn2)c(OC)c1

HCID68525811

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1ccc(Oc2ccc(C=Cc3ccc(C(F)(F)F)cc3)cn2)c(OC)c1

HCID77509674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c0bf2460209402eaec31f8b5c3017ba
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][cH:4][c:5]([O:8][c:9]2[c:10]([O:22][CH3:23])[cH:11][c:12]([CH2:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:13][cH:14]2)[n:6][cH:7]1.[CH3:37][N:38]([CH3:39])[CH2:40][C:41]([OH:42])=[O:43].[CH3:45][C:46](=[O:47])[O-:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][N:56]1[CH2:57][CH2:58][CH2:59][C:60]1=[O:61].[ClH:36].[F:24][C:25]([c:26]1[cH:27][cH:28][c:29]([CH:30]=[CH2:31])[cH:32][cH:33]1)([F:34])[F:35].[Na+:44]>>[c:2]1([CH:31]=[CH:30][c:29]2[cH:28][cH:27][c:26]([C:25]([F:24])([F:34])[F:35])[cH:33][cH:32]2)[cH:3][cH:4][c:5]([O:8][c:9]2[c:10]([O:22][CH3:23])[cH:11][c:12]([CH2:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:13][cH:14]2)[n:6][cH:7]1