HRID802700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID74713

5-Methylthiophene-2-carboxylic acid

C6H6O2S

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：CC(C)(C)OC(=O)N1CCC2(CC1)CNCC(F)(F)O2

HCID57989014

tert-Butyl 2,2-difluoro-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

C13H22F2N2O3

PRODUCTS

生成物

结构：Cc1ccc(C(=O)N2CC(F)(F)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)s1

HCID57989071

1,1-Dimethylethyl 2,2-difluoro-4-[(5-methyl-2-thienyl)carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

C19H26F2N2O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b0fbd2281ea41bc8efdfdf4edf143f8
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

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