HRID2343776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID5975

Cyanide

CN-

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID2783006

5-(Chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C12H9ClF3NS

PRODUCTS

生成物

HCID23614503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d70eed492266459ab44cdbac52cfc7ea
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

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