HRID142191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID90364

2-Bromo-3-methoxypyridine

C6H6BrNO

HCID86618359

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(-c2nc(CCC(O)c3ncccc3OC)cs2)cc1OCC

HCID68709633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff8b2398004940e1ae11cb0436c606c7
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

[Br:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[O:8][CH3:9].[CH2:10]([Li:11])[CH2:12][CH2:13][CH3:14].[CH2:15]([CH3:16])[O:17][c:18]1[cH:19][c:20](-[c:27]2[s:28][cH:29][c:30]([CH2:32][CH2:33][CH:34]=[O:35])[n:31]2)[cH:21][cH:22][c:23]1[O:24][CH2:25][CH3:26].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[Cl-:36].[NH4+:37]>>[c:2]1([CH:34]([CH2:33][CH2:32][c:30]2[cH:29][s:28][c:27](-[c:20]3[cH:19][c:18]([O:17][CH2:15][CH3:16])[c:23]([O:24][CH2:25][CH3:26])[cH:22][cH:21]3)[n:31]2)[OH:35])[n:3][cH:4][cH:5][cH:6][c:7]1[O:8][CH3:9]