HRID311037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID68522

Benzene, (3-bromopropoxy)-

C9H11BrO

HCID71081

Oxalic acid, ion(2-)

C2O4-2

结构：Fc1ccc(C(Nc2ccc(F)c(F)c2)C2CCNCC2)cc1

HCID19772031

未命名化合物

PRODUCTS

生成物

HCID971

Oxalic acid

C2H2O4

结构：Fc1ccc(C(Nc2ccc(F)c(F)c2)C2CCN(CCCOc3ccccc3)CC2)cc1

HCID19772061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-208dce6bc7ba4b84a7f809c7cba94404
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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