HRID1545201

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-

HCID10001

1-Propanamine, 3,3,3-trifluoro- (9CI)

C3H6F3N

HCID81531

Diisopropylethylamine

C8H19N

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(NCCC(F)(F)F)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1C1CCC(C2)O1

HCID25002737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b1d262289d9462faca5713cb71661fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[ClH:27].[F:28][C:29]([CH2:30][CH2:31][NH2:32])([F:33])[F:34].[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1.[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>>[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])[NH:32][CH2:31][CH2:30][C:29]([F:28])([F:33])[F:34])[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