HRID198766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID6484187

1-Isopropylpiperidine-4-carboxylic acid

C9H17NO2

结构：COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cn2)c(N)c1

HCID21906318

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cn2)c(NC(=O)C2CCN(C(C)C)CC2)c1

HCID21906664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf5d852c6f0d415fa152e4c9a31761ef
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

[CH2:40]([Cl:41])[Cl:42].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:11])[OH:12])[CH2:8][CH2:9]1.[NH2:17][c:18]1[c:19]([C:20](=[O:21])[NH:22][c:23]2[n:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]2)[cH:30][cH:31][c:32]([C:34](=[O:35])[O:36][CH3:37])[cH:33]1.[Na+:39].[OH-:38].[OH2:43].[S:13]([Cl:14])([Cl:15])=[O:16].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:12])[NH:17][c:18]2[c:19]([C:20](=[O:21])[NH:22][c:23]3[n:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[cH:30][cH:31][c:32]([C:34](=[O:35])[O:36][CH3:37])[cH:33]2)[CH2:8][CH2:9]1