HRID1551518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

反应SMILES：COC(=O)C(CCC(=O)O)NC(=O)OC(C)(C)C

HCID13943072

未命名化合物

反应SMILES：Nc1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)no1

HCID16719049

(3-(3-(4-(((Pyridin-2-yl)oxy)methyl)benzyl)isoxazol-5-yl)pyridin-2-)amine

C21H18N4O2

PRODUCTS

产物

反应SMILES：COC(=O)C(CCC(=O)Nc1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)no1)NC(=O)OC(C)(C)C

HCID67355983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-41ed104b81a74dab9c7e326760de86d5
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

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