HRID88413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)C(Cc1ccccc1)Oc1c(Br)cc(-c2c3ccccc3c(Br)c3sc(C)c(C)c23)cc1C1CCCC1

HCID57204323

未命名化合物

PRODUCTS

生成物

结构：Cc1sc2c(Br)c3ccccc3c(-c3cc(Br)c(OC(Cc4ccccc4)C(=O)O)c(C4CCCC4)c3)c2c1C

HCID178435020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43d96f5593664eebb2627c73b3efc132
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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