HRID144541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：O=C(O)c1ccc(-n2[nH]c3c(nnc4ccccc43)c2=O)cc1

HCID58974914

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccccc1)c1ccc(-n2[nH]c3c(nnc4ccccc43)c2=O)cc1

HCID58974908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-317b64072ff04b6bb33d9c526dcf08e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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