HRID125895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID2743

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-

C10H16O2

HCID6569

Methyl ethyl ketone

C4H8O

HCID19660

Carbonate

CO3-2

HCID28557

18-Crown-6

C12H24O6

HCID13106144

未命名化合物

PRODUCTS

生成物

结构：CC(C)=CC1C(C(=O)OCc2nsc(Oc3ccccc3)n2)C1(C)C

HCID178441210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-928c95db8b5c4c6aa7262b4eed89c6b7
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

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