HRID1539603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID329979

6-METHYLIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXYLIC ACID

C7H6N2O2S

HCID545809

1-BOC-3-Aminopiperidine

C10H20N2O2

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2sccn2c1C(=O)NC1CCCN(C(=O)OC(C)(C)C)C1

HCID66639537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b84c697707944c15a9eef839a26c8fe8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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