HRID1217867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID15875

3-Cyanobenzoic acid

C8H5NO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID702235

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1

HCID57471631

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0051f95a3b2442a9d002573c9f8839e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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