HRID1536186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7248

3,4-Dimethylaniline

C8H11N

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+

结构：O=C(O)c1ccc2cc(-c3c(Cl)cccc3Cl)[nH]c2c1

HCID66966053

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc3cc(-c4c(Cl)cccc4Cl)[nH]c3c2)cc1C

HCID66965577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f3a9bbf520d40e58a6d8ccbd6051eda
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

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