HRID1140325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID379

Octanoic acid

C8H16O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：[O-][N+]1=C(c2ccccc2)C2=NCCN2c2cc(N3CCNCC3)ccc21

HCID9950158

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCC(=O)N1CCN(c2ccc3c(c2)N2CCN=C2C(c2ccccc2)=[N+]3[O-])CC1

HCID13958613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3326da79b07472b8c7bb76c7ec01c1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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