HRID201615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID5152094

2-Chloro-5-cyanopyridine

C6H3ClN2

HCID28282195

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)N1CCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)CC1

HCID11450692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7c7e31f352646baa996fe53045069bb
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:27](=[O:28])([O-:29])[O-:30].[C:33](=[O:34])([O-:35])[OH:36].[CH3:38][S:39]([CH3:40])=[O:41].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[CH:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[CH2:8][CH2:9]1.[Cl:18][c:19]1[n:20][cH:21][c:22]([C:25]#[N:26])[cH:23][cH:24]1.[K+:31].[K+:32].[Na+:37]>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[CH:12]2[CH2:13][CH2:14][N:15]([c:19]3[n:20][cH:21][c:22]([C:25]#[N:26])[cH:23][cH:24]3)[CH2:16][CH2:17]2)[CH2:8][CH2:9]1.[ClH:18]