HRID1546213

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

HCID8471

Triethylamine

C6H15N

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)C(C)CC(N)Cc1ccc(-c2ccccc2)cc1

HCID57004314

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnc(OC)o1

HCID72337369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff7b7cee31cf454daf2b282fef596426
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

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