HRID170321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：C=CCn1c(=S)[nH]c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2

HCID718815

未命名化合物

HCID4067207

3-Methoxybenzyl bromide

C8H9BrO

PRODUCTS

生成物

结构：C=CCn1c(SCc2cccc(OC)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2

HCID46870296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d76f9f7e10084462ab2abe3e514a3ac4
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

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