HRID1220563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6569

Methyl ethyl ketone

C4H8O

HCID8006

1-Bromo-3-chloropropane

C3H6BrCl

结构：CN(C)S(=O)(=O)c1cccc2c1Sc1ccc(OCc3ccccc3)cc1N2

HCID21534823

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)c1cccc2c1Sc1ccc(OCc3ccccc3)cc1N2CCCCl

HCID21534843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9bcd11b16cb4539bfae47eca1ee848f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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