HRID207850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID268472

未命名化合物

HCID2757422

4'-Chloro[1,1'-biphenyl]-3-amine

C12H10ClN

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1cccc(-c2ccc(Cl)cc2)c1

HCID66620530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-542d75402b3b4083b357eab97ea51fce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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