HRID692470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID88012

5-Aminoindazole

C7H7N3

HCID4714983

1-benzylpiperidine-4-carboxylic acid

C13H17NO2

PRODUCTS

生成物

结构：O=C(Nc1ccc2[nH]ncc2c1)C1CCN(Cc2ccccc2)CC1

HCID22933424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92ce3e9360aa44879c5472c4184e8a19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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