HRID2151605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID20394

2-(Chloromethyl)quinoline

C10H8ClN

HCID28557

18-Crown-6

C12H24O6

HCID22456987

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1=C(C)Cc2ccc(OCc3ccc4ccccc4n3)cc21

HCID15288053

2-Methyl-5-(2-quinolinylmethoxy)-1H-indene-3-acetic acid methyl ester

C23H21NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05b521d2b27a4b8ea7b88d5d95a0657d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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