HRID161665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8180

Undecanoic acid

C11H22O2

结构：CCCCC(Cc1nnc(-c2ccc(O)cc2)s1)C(F)(F)F

HCID136153460

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCC(=O)Oc1ccc(-c2nnc(CC(CCCC)C(F)(F)F)s2)cc1

HCID15027075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba7865261f364194b042801f91a5ddbb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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