HRID668589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：O=C1CC2=C(CC(=O)N1)c1ccccc1Sc1ccccc12

HCID13019088

未命名化合物

PRODUCTS

生成物

HCID15598469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-132c3c943ccd4559a55aeb4f608140bc
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

[Al+3:30].[BrH:1].[CH2:7]1[C:8](=[O:28])[NH:9][C:10](=[O:27])[CH2:11][C:12]2=[C:13]1[c:14]1[c:15]([cH:23][cH:24][cH:25][cH:26]1)[S:16][c:17]1[c:18]2[cH:19][cH:20][cH:21][cH:22]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[H-:29].[H-:32].[H-:33].[H-:34].[Li+:31].[O:2]=[CH:3][N:4]([CH3:5])[CH3:6].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:35]>>[CH2:7]1[CH2:8][NH:9][C:10](=[O:27])[CH2:11][C:12]2=[C:13]1[c:14]1[c:15]([cH:23][cH:24][cH:25][cH:26]1)[S:16][c:17]1[c:18]2[cH:19][cH:20][cH:21][cH:22]1