HRID138332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID787

Hydroxylamine

H3NO

HCID7937

2,6-Dimethylpyridine

C7H9N

结构：O=C(C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)nc1)c1ccccc1

HCID58007548

未命名化合物

PRODUCTS

生成物

结构：O=C(C(=NO)c1ccccc1)N(CCc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)nc1

HCID86637113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1783a00ac673437180a0e72cd1245536
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

[CH3:45][CH2:46][OH:47].[ClH:34].[NH2:35][OH:36].[O:1]=[C:2]([C:3](=[O:4])[N:5]([c:6]1[cH:7][n:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1)[CH2:16][CH2:17][c:18]1[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]1)[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[n:37]1[c:38]([CH3:39])[cH:40][cH:41][cH:42][c:43]1[CH3:44]>>[C:2]([C:3](=[O:4])[N:5]([c:6]1[cH:7][n:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1)[CH2:16][CH2:17][c:18]1[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]1)([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[N:35][OH:36]