HRID2348804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID3268011

tert-Butyl (2-aminocyclohexyl)carbamate

C11H22N2O2

HCID4641409

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

C10H15N6O+

HCID7010325

N-METHYL-4-(2-CHLOROACETAMIDO)BENZOIC ACID

C10H10ClNO3

PRODUCTS

生成物

结构：CN(C(=O)CCl)c1ccc(C(=O)NC2CCCCC2NC(=O)OC(C)(C)C)cc1

HCID69666167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c1e04d82fbd4507bf9e672eb3e79322
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21]([NH:22][CH:23]1[CH:24]([NH2:29])[CH2:25][CH2:26][CH2:27][CH2:28]1)=[O:30].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl:1][CH2:2][C:3](=[O:4])[N:5]([c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1)[CH3:15].[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:1][CH2:2][C:3](=[O:4])[N:5]([c:6]1[cH:7][cH:8][c:9]([C:10](=[O:12])[NH:29][CH:24]2[CH:23]([NH:22][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:30])[CH2:28][CH2:27][CH2:26][CH2:25]2)[cH:13][cH:14]1)[CH3:15]