HRID695349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID22174776

未命名化合物

HCID86646095

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2cnc(Nc3cc(NC(=O)c4cccc(CCC#N)c4)ccc3C)nc2s1

HCID59507062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0ec0461c32746e2a3d904e34555d20a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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