HRID97545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7413

Cyclohexanecarboxylic acid

C7H12O2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID28486

Lithium ion

Li+

HCID21703347

未命名化合物

HCID44140438

未命名化合物

PRODUCTS

生成物

结构：O=C(C1CCCCC1)N1CCC(Nc2nc(-c3ccccc3)c3ccccc3n2)CC1

HCID44138291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d50b2fe0a0644ea2b026b02e878bb0d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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