HRID2152790

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID24693537

未命名化合物

HCID65501190

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1

HCID59234680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93a118bb6cb9425e82664d839c887ac3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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