HRID90600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

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+

HCID22507697

未命名化合物

HCID22507742

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2COCCO2)c2sc(NC(=O)c3ccnc(COCC(F)(F)F)c3)nc12

HCID22507730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7056fa5600e64ca09cd912e63e49b2c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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