HRID172536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2762821

2-methylpyridine-4-carboxylic acid

C7H7NO2

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：COc1ccc(C2COCCO2)c2sc(NC(=O)c3ccnc(C)c3)nc12

HCID11292077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3397c72eebda45ec9e604d3070666532
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

[C:63](=[O:64])([OH:65])[O-:66].[CH2:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43])[CH3:44].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][n:11]1.[ClH:1].[Na+:67].[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>>[CH3:2][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][n:11]1