HRID1233421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID20394

2-(Chloromethyl)quinoline

C10H8ClN

结构：C=CCc1c(O)ccc2[nH]c3c(c12)CCCC3CC(=O)OCC

HCID19755403

未命名化合物

PRODUCTS

生成物

结构：C=CCc1c(OCc2ccc3ccccc3n2)ccc2[nH]c3c(c12)CCCC3CC(=O)OCC

HCID19755383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79fc0b3764c94d7eb060a288f9f4523b
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

[CH2:1]([CH:2]=[CH2:3])[c:4]1[c:5]2[c:6]3[c:11]([nH:12][c:13]2[cH:14][cH:15][c:16]1[OH:17])[CH:10]([CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[CH2:9][CH2:8][CH2:7]3.[Cl:25][CH2:26][c:27]1[n:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[cH:35][cH:36]1.[ClH:24].[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:43]>>[CH2:1]([CH:2]=[CH2:3])[c:4]1[c:5]2[c:6]3[c:11]([nH:12][c:13]2[cH:14][cH:15][c:16]1[O:17][CH2:26][c:27]1[n:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[cH:35][cH:36]1)[CH:10]([CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[CH2:9][CH2:8][CH2:7]3