HRID300507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2724942

未命名化合物

HCID14170926

3-Methyloxan-4-one

C6H10O2

结构：Cc1cc(C(F)(F)F)cc(N2CCN(C(=O)C3(C(C)C)CCC(N)C3)CC2)n1

HCID178426044

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)cc(N2CCN(C(=O)C3(C(C)C)CCC(NC4CCOCC4C)C3)CC2)n1

HCID178426045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d4bc05f76214a6b95781dd91fb1fd09
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:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH2:58]([Cl:59])[Cl:60].[CH3:29][CH:30]1[CH2:31][O:32][CH2:33][CH2:34][C:35]1=[O:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH:1]([CH3:2])([CH3:3])[C:4]1([C:10](=[O:11])[N:12]2[CH2:13][CH2:14][N:15]([c:18]3[n:19][c:20]([CH3:28])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[CH2:16][CH2:17]2)[CH2:5][CH:6]([NH2:9])[CH2:7][CH2:8]1.[Na+:57]>>[CH:1]([CH3:2])([CH3:3])[C:4]1([C:10](=[O:11])[N:12]2[CH2:13][CH2:14][N:15]([c:18]3[n:19][c:20]([CH3:28])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[CH2:16][CH2:17]2)[CH2:5][CH:6]([NH:9][CH:35]2[CH:30]([CH3:29])[CH2:31][O:32][CH2:33][CH2:34]2)[CH2:7][CH2:8]1