HRID117446

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

HCID77056

1-Ethylpiperidin-4-ol

C7H15NO

HCID68577944

未命名化合物

PRODUCTS

生成物

结构：CCN1CCC(Oc2ccc(C3(CNc4ccccn4)CCOCC3)cc2)CC1

HCID59837384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea4ac2b1c69849e39c24bd47e4be4776
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

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