HRID108866

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-

HCID284728

2-Methyl-1,3-thiazole-4-carboxylic acid

C5H5NO2S

HCID4641409

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

C10H15N6O+

HCID57989265

1,1-Dimethylethyl 7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylate

C14H26N2O3

PRODUCTS

生成物

结构：Cc1nc(C(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cs1

HCID57989321

1,1-Dimethylethyl 10-[(2-methyl-4-thiazolyl)carbonyl]-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylate

C19H29N3O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da23f3f7f21542a480b0b2f3ea34f095
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:25]1[CH2:26][N:27]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:28][CH2:29][C:30]12[O:31][CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2.[CH3:44][c:45]1[s:46][cH:47][c:48]([C:50](=[O:51])[OH:52])[n:49]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[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>>[CH2:25]1[CH2:26][N:27]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:28][CH2:29][C:30]12[O:31][CH2:32][CH2:33][N:34]([C:50]([c:48]1[cH:47][s:46][c:45]([CH3:44])[n:49]1)=[O:51])[CH2:35][CH2:36]2