HRID169845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID14232

N-Methoxymethylamine

C2H7NO

HCID4641409

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

C10H15N6O+

结构：O=C(O)C1CN(Cc2ccccc2)CC1c1ccc(Cl)c(Cl)c1

HCID16244042

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)C1CN(Cc2ccccc2)CC1c1ccc(Cl)c(Cl)c1

HCID86627620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db8d35c53d0040afa0c855ed5dda5825
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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