HRID1141929

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

HCID130500

未命名化合物

HCID24730367

Methyl 2-amino-1H-benzimidazole-4-carboxylate

C9H9N3O2

HCID66940215

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc2[nH]c(NC(=O)c3cc4ccc(OCc5ccccc5)cc4cn3)nc12

HCID58724418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-061d5c8fd68147008864caedc6540d84
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[cH:13][c:14]([C:19](=[O:20])[OH:21])[n:15][cH:16][c:17]2[cH:18]1.[CH3:46][O:47][C:48](=[O:49])[c:50]1[cH:51][cH:52][cH:53][c:54]2[nH:55][c:56]([NH2:59])[n:57][c:58]12.[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[cH:13][c:14]([C:19](=[O:21])[NH:59][c:56]3[nH:55][c:54]4[cH:53][cH:52][cH:51][c:50]([C:48]([O:47][CH3:46])=[O:49])[c:58]4[n:57]3)[n:15][cH:16][c:17]2[cH:18]1