HRID186320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID10921829

3-chloro-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyridazine

C7H5ClN4S

HCID15637616

2,3-Dihydrospiro[indene-1,4'-piperidine]

C13H17N

PRODUCTS

生成物

结构：Cc1nsc(-c2ccc(N3CCC4(CCc5ccccc54)CC3)nn2)n1

HCID86639998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3236fe6379c4a20a039cde149dbcd16
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

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