HRID158907

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID68752781

未命名化合物

HCID68755471

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1c(NC(=O)CC2(C)CCc3ccccc32)nn2cccnc12

HCID68748166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07b7eb35854c44fb89e1df92b60a52e8
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

[C:15]([CH3:16])([CH3:17])([CH3:18])[c:19]1[c:20]([NH2:28])[n:21][n:22]2[c:23]1[n:24][cH:25][cH:26][cH:27]2.[CH2:29]([P:30]([OH:31])(=[O:32])[OH:33])[CH2:34][CH3:35].[CH3:1][C:2]1([CH2:11][C:12](=[O:13])[OH:14])[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[CH3:1][C:2]1([CH2:11][C:12](=[O:14])[NH:28][c:20]2[c:19]([C:15]([CH3:16])([CH3:17])[CH3:18])[c:23]3[n:22]([n:21]2)[cH:27][cH:26][cH:25][n:24]3)[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21