HRID805166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID20274

Heptane, 1-iodo-

C7H15I

HCID70622

2-Amino-5-bromopyridine

C5H5BrN2

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCNc2ccc(Br)cn2)cs1

HCID59759057

未命名化合物

结构：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CC(=O)O)cs1

HCID59759443

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCN(CCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1)c1ccc(Br)cn1

HCID59759442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8d012d6e6414b78a9ad50357387ccfe
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][NH:18][c:19]2[n:20][cH:21][c:22]([Br:25])[cH:23][cH:24]2)[n:15]1)=[O:26].[C:35]([O:36][C:37](=[O:38])[C:39]([S:40][c:41]1[s:42][cH:43][c:44]([CH2:45][C:46]([OH:47])=[O:48])[n:49]1)([CH3:50])[CH3:51])([CH3:52])([CH3:53])[CH3:54].[CH2:55]([CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61])[I:62].[CH3:63][C:64]([CH3:65])([O-:66])[CH3:67].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[K+:68].[NH2:27][c:28]1[cH:29][cH:30][c:31]([Br:32])[cH:33][n:34]1.[OH2:74]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][N:18]([c:19]2[n:20][cH:21][c:22]([Br:25])[cH:23][cH:24]2)[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61])[n:15]1)=[O:26]