HRID160250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID736341

4-(Chloromethyl)-2-methylthiazole

C5H6ClNS

HCID3018455

Ethyl 4-[(1,3-dihydro-2H-benzimidazol-2-ylidene)amino]piperidine-1-carboxylate

C15H20N4O2

PRODUCTS

生成物

结构：CCOC(=O)N1CCC(Nc2nc3ccccc3n2Cc2csc(C)n2)CC1

HCID18957838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4800f056d374602869716df2607d21f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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