HRID679964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11647

N-Methylhydroxylamine

CH5NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CSc1ccc(C=C2C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1

HCID91605

(5-Fluoro-2-methyl-1-{[4-(methylsulfanyl)phenyl]methylidene}-1H-inden-3-yl)acetic acid

C20H17FO2S

PRODUCTS

生成物

结构：CSc1ccc(C=C2C(C)=C(CC(=O)N(C)O)c3cc(F)ccc32)cc1

HCID54225315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-788c4857c2e748f58673eb0b5b34dab6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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