HRID662432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID2776286

4-(bromomethyl)-2,1,3-benzothiadiazole

C7H5BrN2S

HCID15380699

1,1-Dimethylethyl 4-[(2-methylpropyl)amino]-1-piperidinecarboxylate

C14H28N2O2

PRODUCTS

生成物

结构：CC(C)CN(Cc1cccc2nsnc12)C1CCN(C(=O)OC(C)(C)C)CC1

HCID68574681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df23f57b2f2f4988a1a3111f62c1123b
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

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