HRID2131592

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

HCID11357887

2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

C15H19NO4

HCID24730367

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

C9H9N3O2

PRODUCTS

生成物

结构：COC(=O)c1cccc2[nH]c(NC(=O)c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)nc12

HCID58724461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0279177e09c485cbded0116831debcd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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