HRID95565

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID408285

2-Morpholinoethylamine

C6H14N2O

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)N1CCN(c2cccc(Cl)c2)C(C(=O)O)C1

HCID69245406

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cccc(Cl)c2)C(C(=O)NCCN2CCOCC2)C1

HCID69244640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a89a8f42c66b44c2b52007a18863a122
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:74](=[O:75])([OH:76])[O-:77].[CH3:67][N:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[Cl:1][c:2]1[cH:3][c:4]([N:8]2[CH:9]([C:21](=[O:22])[OH:23])[CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1.[Na+:78].[O:24]1[CH2:25][CH2:26][N:27]([CH2:30][CH2:31][NH2:32])[CH2:28][CH2:29]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:84].[OH:57][n:58]1[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1.[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[Cl:1][c:2]1[cH:3][c:4]([N:8]2[CH:9]([C:21](=[O:23])[NH:32][CH2:31][CH2:30][N:27]3[CH2:26][CH2:25][O:24][CH2:29][CH2:28]3)[CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1