HRID1123129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID2724942

未命名化合物

结构：COc1ccc(F)cc1C(C)(C)CC(O)(C=O)C(F)(F)F

HCID11573122

未命名化合物

HCID12283036

5-Amino-2-methoxyquinoline

C10H10N2O

PRODUCTS

生成物

结构：COc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3OC)C(F)(F)F)cccc2n1

HCID21948841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f19b4394305d429f97bb42d56e17ddb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:56][C:57](=[O:58])[OH:59].[F:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1.[NH2:22][c:23]1[c:24]2[cH:25][cH:26][c:27]([O:33][CH3:34])[n:28][c:29]2[cH:30][cH:31][cH:32]1.[Na+:48]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([C:8]([CH2:9][C:10]([CH2:11][NH:22][c:23]2[c:24]3[cH:25][cH:26][c:27]([O:33][CH3:34])[n:28][c:29]3[cH:30][cH:31][cH:32]2)([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1