HRID1116466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID2155

2-Aminothiazole

C3H4N2S

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+

结构：CC(CO[Si](C)(C)C(C)(C)C)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)O)c1

HCID178460641

未命名化合物

PRODUCTS

生成物

结构：CC(CO[Si](C)(C)C(C)(C)C)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)Nc2nccs2)c1

HCID178460640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-493954ff9ddf45deb45e7a0ca5dff8aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[N:10]1([C:14](=[O:15])[c:16]2[cH:17][cH:18][c:19]([O:20][c:21]3[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][c:28]([O:30][CH:31]([CH2:32][O:33][Si:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])[CH3:41])[cH:29]3)[cH:42][cH:43]2)[CH2:11][CH2:12][CH2:13]1.[NH2:68][c:69]1[s:70][cH:71][cH:72][n:73]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH2:79].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[N:10]1([C:14](=[O:15])[c:16]2[cH:17][cH:18][c:19]([O:20][c:21]3[cH:22][c:23]([C:24](=[O:25])[NH:68][c:69]4[s:70][cH:71][cH:72][n:73]4)[cH:27][c:28]([O:30][CH:31]([CH2:32][O:33][Si:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])[CH3:41])[cH:29]3)[cH:42][cH:43]2)[CH2:11][CH2:12][CH2:13]1