HRID211339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

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+

HCID58158486

未命名化合物

结构：Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)c(F)c1

HCID58158605

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)[n+]([O-])c1-c1ccccc1

HCID58158607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a20c9387969547369f978e077f97ccfe
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

[C:75](=[O:76])([O-:77])[OH:78].[CH3:25][c:26]1[cH:27][cH:28][c:29]([C:39](=[O:40])[OH:41])[n+:30]([O-:38])[c:31]1-[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:80][N:81]([CH3:82])[CH:83]=[O:84].[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[CH:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[NH2:1][c:2]1[cH:3][c:4]([F:24])[c:5]([O:6][c:7]2[cH:8][cH:9][c:10]3[n:11]([cH:12]2)[cH:13][c:14]([NH:16][C:17](=[O:18])[CH:19]2[CH2:20][CH2:21]2)[n:15]3)[cH:22][cH:23]1.[Na+:79].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[NH:1]([c:2]1[cH:3][c:4]([F:24])[c:5]([O:6][c:7]2[cH:8][cH:9][c:10]3[n:11]([cH:12]2)[cH:13][c:14]([NH:16][C:17](=[O:18])[CH:19]2[CH2:20][CH2:21]2)[n:15]3)[cH:22][cH:23]1)[C:39]([c:29]1[cH:28][cH:27][c:26]([CH3:25])[c:31](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[n+:30]1[O-:38])=[O:40]