HRID1554906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

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+

HCID18188094

未命名化合物

HCID69420033

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1(c2ccc(NC(=O)Cc3cc(C)c4nc(Nc5ccccc5C)oc4c3)cc2)CCOCC1

HCID69418526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89a8bb996d6b48e0ad80491b78bedb17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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