HRID207986

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

HCID23028147

6-(Propan-2-yl)pyridazin-3(2H)-one

C7H10N2O

结构：OCc1cccc(-c2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)c1

HCID58289705

3-[5-[1-[2-(4-Morpholinyl)ethyl]-1H-pyrazol-4-yl]-2-pyrimidinyl]benzenemethanol

C20H23N5O2

PRODUCTS

生成物

结构：CC(C)c1ccc(=O)n(Cc2cccc(-c3ncc(-c4cnn(CCN5CCOCC5)c4)cn3)c2)n1

HCID42641611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99b6a3e1da18492bb40e19f499a6898e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH:28]([CH3:29])([CH3:30])[c:31]1[cH:32][cH:33][c:34](=[O:37])[nH:35][n:36]1.[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][n:9]2[n:10][cH:11][c:12](-[c:14]3[cH:15][n:16][c:17](-[c:20]4[cH:21][c:22]([CH2:26][OH:27])[cH:23][cH:24][cH:25]4)[n:18][cH:19]3)[cH:13]2)[CH2:5][CH2:6]1.[O:57]=[C:58]([O:59][CH:60]([CH3:61])[CH3:62])[N:63]=[N:64][C:65]([O:66][CH:67]([CH3:68])[CH3:69])=[O:70].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][n:9]2[n:10][cH:11][c:12](-[c:14]3[cH:15][n:16][c:17](-[c:20]4[cH:21][c:22]([CH2:26][n:35]5[c:34](=[O:37])[cH:33][cH:32][c:31]([CH:28]([CH3:29])[CH3:30])[n:36]5)[cH:23][cH:24][cH:25]4)[n:18][cH:19]3)[cH:13]2)[CH2:5][CH2:6]1