HRID667125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID962

Water

H2O

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：Fc1ccc(Nc2ncnc3sc4c(c23)CCNC4)c(OC2CCOCC2)c1

HCID46182217

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)cc4OC4CCOCC4)c23)C1

HCID46182218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cc985131b704abbbafa9002f23c406a
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

[CH3:34][N:35]([CH3:36])[CH2:37][C:38]([OH:39])=[O:40].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[F:41][c:42]1[cH:43][c:44]([O:62][CH:63]2[CH2:64][CH2:65][O:66][CH2:67][CH2:68]2)[c:45]([NH:48][c:49]2[c:50]3[c:51]([n:52][cH:53][n:54]2)[s:55][c:56]2[c:57]3[CH2:58][CH2:59][NH:60][CH2:61]2)[cH:46][cH:47]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[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>>[CH3:34][N:35]([CH3:36])[CH2:37][C:38](=[O:40])[N:60]1[CH2:59][CH2:58][c:57]2[c:50]3[c:49]([NH:48][c:45]4[c:44]([O:62][CH:63]5[CH2:64][CH2:65][O:66][CH2:67][CH2:68]5)[cH:43][c:42]([F:41])[cH:47][cH:46]4)[n:54][cH:53][n:52][c:51]3[s:55][c:56]2[CH2:61]1