HRID195331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10898

2-Bromo-1-ethanol

C2H5BrO

HCID19660

Carbonate

CO3-2

结构：FC(F)(F)c1cc(COC2CCC3CCC2(c2ccccc2)N3)cc(C(F)(F)F)c1

HCID22724580

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：OCCN1C2CCC(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1(c1ccccc1)CC2

HCID87950620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7886c2b7e1e54c7995c2febe7022a956
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:37][CH2:38][CH2:39][OH:40].[C:31](=[O:32])([O-:33])[O-:34].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[ClH:41].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][O:14][CH:15]2[C:16]3([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[CH2:17][CH2:18][CH:19]([CH2:20][CH2:21]2)[NH:22]3)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30].[K+:35].[K+:36].[OH2:52]>>[ClH:41].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][O:14][CH:15]2[C:16]3([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[CH2:17][CH2:18][CH:19]([CH2:20][CH2:21]2)[N:22]3[CH2:38][CH2:39][OH:40])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30]