HRID1205408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID566324

1-(1-Methyl-4-piperidinyl)piperazine

C10H21N3

结构：CCOc1ncccc1C1(CC(=O)O)C(=O)Nc2cc(F)c(Cl)cc21

HCID67087607

未命名化合物

PRODUCTS

生成物

结构：CCOc1ncccc1C1(CC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)Nc2cc(F)c(Cl)cc21

HCID67087506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a5c7e786c9e400b93996d6e61494889
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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