HRID674982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID67854

Benzoic acid, 2-fluoro-, methyl ester

C8H7FO2

结构：Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC1CCCNC1

HCID57572157

2-(4-Chlorophenyl)-4-methyl-N-(3-piperidinylmethyl)-5-thiazolecarboxamide

C17H20ClN3OS

PRODUCTS

生成物

结构：COC(=O)c1ccccc1N1CCCC(CNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)C1

HCID58992629

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8edc0f52cb2341e796f5b6eecfbd929a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:39](=[O:40])([O-:41])[O-:42].[CH3:35][S:36]([CH3:37])=[O:38].[F:24][c:25]1[c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32][cH:33][cH:34]1.[K+:43].[K+:44].[NH:1]1[CH2:2][CH:3]([CH2:7][NH:8][C:9](=[O:10])[c:11]2[c:12]([CH3:23])[n:13][c:14](-[c:16]3[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]3)[s:15]2)[CH2:4][CH2:5][CH2:6]1.[OH2:45]>>[N:1]1([c:25]2[c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32][cH:33][cH:34]2)[CH2:2][CH:3]([CH2:7][NH:8][C:9](=[O:10])[c:11]2[c:12]([CH3:23])[n:13][c:14](-[c:16]3[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]3)[s:15]2)[CH2:4][CH2:5][CH2:6]1