HRID179650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

HCID4641409

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

C10H15N6O+

结构：CN1C(=O)CCN(C2CCCC2)c2nc(Nc3c(Cl)cc(C(=O)O)c(F)c3Cl)ncc21

HCID86617562

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(NC(=O)c2cc(Cl)c(Nc3ncc4c(n3)N(C3CCCC3)CCC(=O)N4C)c(Cl)c2F)CC1

HCID86617561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19f9c52bf6254115b5ee4c81ea9f0fad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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