HRID1142981

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

HCID819942

2-methoxyisonicotinic acid

C7H7NO3

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：COc1cc(C(=O)Nc2nc3c(OC)ccc(C4COCCO4)c3s2)ccn1

HCID22507692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c5be9d4ac3e4aeeb981e53c478bd956
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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