HRID683803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID787

Hydroxylamine

H3NO

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2762733

Thiazole-2-carboxylic acid

C4H3NO2S

结构：CNc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)c(C(=O)O)s1

HCID19785560

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)c(C(=O)NO)s1

HCID19785553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03615cbc8cb646d689c00f9d4ad2188e
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

[CH2:56]([Cl:57])[Cl:58].[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:31][C:32]([C:33]([Cl:34])=[O:35])=[O:36].[ClH:37].[ClH:55].[F:1][c:2]1[c:3](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:4][cH:5][c:6]([CH:8]([CH3:9])[c:10]2[n:11][c:12]([NH:18][CH3:19])[s:13][c:14]2[C:15](=[O:16])[OH:17])[cH:7]1.[NH2:38][OH:39].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH2:59].[s:47]1[cH:48][cH:49][n:50][c:51]1[C:52]([OH:53])=[O:54]>>[F:1][c:2]1[c:3](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:4][cH:5][c:6]([CH:8]([CH3:9])[c:10]2[n:11][c:12]([NH:18][CH3:19])[s:13][c:14]2[C:15](=[O:16])[NH:38][OH:39])[cH:7]1