HRID87870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7894

3-Methyl-1-butanamine

C5H13N

HCID2724942

未命名化合物

结构：CC1(C)OC(=O)c2ccc(Oc3c(F)cc(C=O)cc3F)cc2O1

HCID57939024

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCNCc1cc(F)c(Oc2ccc3c(c2)OC(C)(C)OC3=O)c(F)c1

HCID57939026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed45d5f4405a4901aaba06120b2971dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH3:1][C:2]1([CH3:24])[O:3][c:4]2[c:5]([cH:9][cH:10][c:11]([O:13][c:14]3[c:15]([F:23])[cH:16][c:17]([CH:18]=[O:19])[cH:20][c:21]3[F:22])[cH:12]2)[C:6](=[O:8])[O:7]1.[CH3:25][CH:26]([CH2:27][CH2:28][NH2:29])[CH3:30].[Cl:47][CH2:48][CH2:49][Cl:50].[K+:46].[Na+:44].[OH-:45]>>[CH3:1][C:2]1([CH3:24])[O:3][c:4]2[c:5]([cH:9][cH:10][c:11]([O:13][c:14]3[c:15]([F:23])[cH:16][c:17]([CH2:18][NH:29][CH2:28][CH2:27][CH:26]([CH3:25])[CH3:30])[cH:20][c:21]3[F:22])[cH:12]2)[C:6](=[O:8])[O:7]1