HRID686731

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

HCID4641409

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

C10H15N6O+

HCID4644094

3-(tert-Butoxycarbonyl)-1,3-thiazolidine-2-carboxylic acid

C9H15NO4S

HCID59228792

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCSC1C(=O)Nc1nc(-c2ccc(C(=O)NC3CC3)cc2)cs1

HCID74316217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d92e6bf188ec4fe18673648ad289391e
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

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