HRID172923

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

HCID588088

3,4-Difluorobenzaldehyde

C7H4F2O

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)c1ccc(F)c(F)c1)c1ccc(F)cc1

HCID86621952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-427dec1d81f54e01b66b90d37c44ea9c
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

[Br-:46].[CH2:47]([n+:48]1[c:49]([CH3:50])[c:51]([CH2:52][CH2:53][OH:54])[s:55][cH:56]1)[CH3:57].[CH2:58]([Cl:59])[Cl:60].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[Cl-:44].[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.[F:34][c:35]1[cH:36][c:37]([CH:38]=[O:39])[cH:40][cH:41][c:42]1[F:43].[NH4+:45]>>[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:38]([c:37]2[cH:36][c:35]([F:34])[c:42]([F:43])[cH:41][cH:40]2)=[O:39])[cH:6][cH:7]1