HRID1239629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID69221

Glycine methyl ester

C3H7NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：O=C(O)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl

HCID67320576

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CNC(=O)c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl

HCID53312194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-054f35380b4642ea8124823c620c71fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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