HRID1214925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl Acetate

C4H8O2

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate Ion

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID136438

1-Chloro-2-iodoethane

C2H4ClI

HCID136199109

2-[3-(4-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(tri-fluoromethyl)benzyl]-acetamide

C18H14ClF3N4O2

PRODUCTS

产物

HCID58012174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ce2e375eb9fc4ce49048d1fab4d13539
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:29](=[O:30])([O-:31])[O-:32].[CH2:47]([N+:48]([CH2:49][CH3:50])([CH2:51][CH3:52])[CH2:53][CH3:54])[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[Cl-:46].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:14][C:15](=[O:16])[NH:17][CH2:18][c:19]3[c:20]([C:25]([F:26])([F:27])[F:28])[cH:21][cH:22][cH:23][cH:24]3)[c:11](=[O:13])[nH:12]2)[cH:6][cH:7]1.[Cs+:33].[Cs+:34].[I:35][CH2:36][CH2:37][Cl:38].[OH2:61]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:14][C:15](=[O:16])[NH:17][CH2:18][c:19]3[c:20]([C:25]([F:26])([F:27])[F:28])[cH:21][cH:22][cH:23][cH:24]3)[c:11](=[O:13])[n:12]2[CH2:36][CH2:37][Cl:38])[cH:6][cH:7]1