HRID142432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID11461

Benzoic acid, 3-methoxy-

C8H8O3

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

PRODUCTS

生成物

结构：COc1cccc(C(=O)Nc2nc3c(OC)ccc(C4COCCO4)c3s2)c1

HCID11246578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1060bf96174b4218bb3b204401072eee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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