HRID2326605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID170103

8-Quinolinecarboxaldehyde

C10H7NO

HCID688124

Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-

C8H14NOS+

结构：Cc1ccc(S(=O)(=O)C(NC(=O)OC(C)(C)C)c2ccc(F)cc2)cc1

HCID86621947

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C(=O)c1cccc2cccnc12)c1ccc(F)cc1

HCID86621948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28e103d836be449f932113fce7ac669d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br-:48].[CH2:49]([n+:50]1[c:51]([CH3:52])[c:53]([CH2:54][CH2:55][OH:56])[s:57][cH:58]1)[CH3:59].[CH2:60]([Cl:61])[Cl:62].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[Cl-:46].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([S:9]([c:10]2[cH:11][cH:12][c:13]([CH3:14])[cH:15][cH:16]2)(=[O:17])=[O:18])[NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[cH:6][cH:7]1.[NH4+:47].[n:34]1[cH:35][cH:36][cH:37][c:38]2[cH:39][cH:40][cH:41][c:42]([CH:44]=[O:45])[c:43]12>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[C:44]([c:42]2[cH:41][cH:40][cH:39][c:38]3[cH:37][cH:36][cH:35][n:34][c:43]32)=[O:45])[cH:6][cH:7]1