HRID1552211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID689080

2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine

C9H9ClF3NO

HCID178480613

未命名化合物

PRODUCTS

生成物

结构：Cc1c(OCC(F)(F)F)ccnc1CSc1nc2cc(N3CCN(C)CC3)c(F)cc2[nH]1

HCID18792762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5585f2392bb942bcb89ab4f33f20ba29
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br-:37].[CH3:20][c:21]1[c:22]([CH2:33][Cl:34])[n:23][cH:24][cH:25][c:26]1[O:27][CH2:28][C:29]([F:30])([F:31])[F:32].[CH3:39][CH2:40][OH:41].[ClH:19].[F:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:4][c:5]2[c:6]([nH:7][c:8]([SH:10])[n:9]2)[cH:11]1.[K+:38].[Na+:36].[OH-:35]>>[F:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:4][c:5]2[c:6]([nH:7][c:8]([S:10][CH2:33][c:22]3[c:21]([CH3:20])[c:26]([O:27][CH2:28][C:29]([F:30])([F:31])[F:32])[cH:25][cH:24][n:23]3)[n:9]2)[cH:11]1