HRID686236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

2 次

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID277977

2-(4-Methoxyphenyl)ethyl methanesulfonate

C10H14O4S

HCID14575274

N-(Piperidin-4-yl)-1,3-benzothiazol-2-amine

C12H15N3S

PRODUCTS

生成物

结构：COc1ccc(CCN2CCC(Nc3nc4ccccc4s3)CC2)cc1

HCID14575764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-086c4a6e84c849248cfefeb335411ca6
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

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