HRID2338165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2758248

未命名化合物

HCID4641409

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

C10H15N6O+

结构：O=C(O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1C1CCC(C2)O1

HCID66846098

未命名化合物

PRODUCTS

生成物

结构：O=C(c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1C1CCC(C2)O1)N1CC(F)(F)C1

HCID25002392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afdce468c52b4971962096a4631297a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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