HRID830901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID15879

3-Chlorophenylacetic acid

C8H7ClO2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID66823569

未命名化合物

PRODUCTS

生成物

结构：Nc1nccc2scc(-c3ccc4c(c3)CCN4C(=O)Cc3cccc(Cl)c3)c12

HCID53467823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84d15370eeb643db8df49b40f14cc2a9
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl:44][c:45]1[cH:46][c:47]([CH2:51][C:52](=[O:53])[OH:54])[cH:48][cH:49][cH:50]1.[NH:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][s:12][c:13]4[c:14]3[c:15]([NH2:19])[n:16][cH:17][cH:18]4)[cH:7][cH:8][c:9]21.[OH2:64].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[N:1]1([C:52]([CH2:51][c:47]2[cH:46][c:45]([Cl:44])[cH:50][cH:49][cH:48]2)=[O:53])[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][s:12][c:13]4[c:14]3[c:15]([NH2:19])[n:16][cH:17][cH:18]4)[cH:7][cH:8][c:9]21