HRID1232711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID11446771

3-(4-ACETYLPIPERAZIN-1-YL)PROPAN-1-OL

C9H18N2O2

结构：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)cnnc2cc1O

HCID135749776

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)cnnc2cc1OCCCN1CCN(C(C)=O)CC1

HCID22490036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80a2b7e4e6b448fd99b78fe7742a5242
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:57]([CH3:58])(=[O:59])[N:60]1[CH2:61][CH2:62][N:63]([CH2:66][CH2:67][CH2:68][OH:69])[CH2:64][CH2:65]1.[F:13][c:14]1[c:15]2[cH:16][c:17]([CH3:37])[nH:18][c:19]2[cH:20][cH:21][c:22]1[O:23][c:24]1[cH:25][n:26][n:27][c:28]2[cH:29][c:30]([OH:36])[c:31]([O:34][CH3:35])[cH:32][c:33]12.[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[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>>[F:13][c:14]1[c:15]2[cH:16][c:17]([CH3:37])[nH:18][c:19]2[cH:20][cH:21][c:22]1[O:23][c:24]1[cH:25][n:26][n:27][c:28]2[cH:29][c:30]([O:36][CH2:68][CH2:67][CH2:66][N:63]3[CH2:62][CH2:61][N:60]([C:57]([CH3:58])=[O:59])[CH2:65][CH2:64]3)[c:31]([O:34][CH3:35])[cH:32][c:33]12