HRID212809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：O=C(O)c1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CC2

HCID59505232

未命名化合物

HCID59505239

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(C(=O)C(F)(F)F)CC4)C3)cc21)c1ccccc1Cl

HCID59505719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c788a1b23adf4729883c75f03576b62f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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