HRID295264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

4 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID13625

Benzothiazolone

C7H5NOS

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID81363

1-Chloro-3-iodopropane

C3H6ClI

HCID166653

Hydride

H-

HCID2801692

3-allyl-2,3-dihydro-1,3-benzothiazol-2-one

C10H9NOS

HCID13283867

4-Butylpiperidine

C9H19N

HCID21989885

未命名化合物

PRODUCTS

生成物

HCID21989862

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-314897502b904f3fb60e1ccf4a9ca792
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:32]([n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[s:40][c:41]1=[O:42])[CH:43]=[CH2:44].[CH2:45]([CH2:46][CH2:47][CH3:48])[CH:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[CH3:64][C:65]#[N:66].[Cl:13][CH2:14][CH2:15][CH2:16][I:17].[Cl:18][CH2:19][CH2:20][CH2:21][n:22]1[c:23](=[O:31])[s:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2.[H-:11].[I-:56].[Na+:12].[Na+:55].[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62].[OH2:63].[s:1]1[c:2]2[cH:3][cH:4][cH:5][cH:6][c:7]2[nH:8][c:9]1=[O:10]>>[CH2:19]([CH2:20][CH2:21][n:22]1[c:23](=[O:31])[s:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2)[N:52]1[CH2:51][CH2:50][CH:49]([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:54][CH2:53]1