HRID121748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID76646

1-Propanol, 3-(dimethylamino)-

C5H13NO

HCID59438048

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(-c2ncc(OCCCN(C)C)cn2)c1

HCID59484848

Methyl 3-[5-[3-(dimethylamino)propoxy]-2-pyrimidinyl]benzoate

C17H21N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a96166a0c264474588b4497c716bea5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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