HRID309944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID55303867

未命名化合物

结构：CCOC(=O)CC(N)Cc1ccc(-c2cccc(Cl)c2)cc1

HCID68424117

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1cnc(OC)o1

HCID72337144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56d2ee4db6864487a12fb87c24534a56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][O:2][c:3]1[o:4][c:5]([C:8](=[O:9])[OH:10])[cH:6][n:7]1.[Cl:63][CH2:64][Cl:65].[ClH:11].[NH2:12][CH:13]([CH2:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:20][c:21]1[cH:22][cH:23][c:24](-[c:27]2[cH:28][c:29]([Cl:33])[cH:30][cH:31][cH:32]2)[cH:25][cH:26]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[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>>[CH3:1][O:2][c:3]1[o:4][c:5]([C:8](=[O:10])[NH:12][CH:13]([CH2:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[cH:28][c:29]([Cl:33])[cH:30][cH:31][cH:32]3)[cH:25][cH:26]2)[cH:6][n:7]1