HRID2317236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID3283

Diethyl Ether

C4H10O

HCID5943

Carbon tetrachloride

CCl4

HCID15662586

未命名化合物

HCID19083613

4-(5-Octylpyrimidin-2-yl)benzoic acid

C19H24N2O2

PRODUCTS

生成物

结构：CCCCCCCCc1cnc(-c2ccc(C(=O)Oc3ccc(C(=O)C(C)CC)cc3)cc2)nc1

HCID19991241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33e9b99bc8e2435386cb2e0dcfeb72fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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