HRID152732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID79196

Piperazine, 1-ethyl-

C6H14N2

HCID3028194

Lithium

结构：Cc1cc2c(F)c(Oc3ncnc4[nH]c(-c5ccc(C(=O)O)cc5)cc34)ccc2[nH]1

HCID69180617

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(C(=O)c2ccc(-c3cc4c(Oc5ccc6[nH]c(C)cc6c5F)ncnc4[nH]3)cc2)CC1

HCID10207082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b084bbbb4604223af36dd7a5177d1a7
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

[CH2:32]([CH3:33])[N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[F:2][c:3]1[c:4]2[cH:5][c:6]([CH3:31])[nH:7][c:8]2[cH:9][cH:10][c:11]1[O:12][c:13]1[c:14]2[c:15]([n:16][cH:17][n:18]1)[nH:19][c:20](-[c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]1)[cH:21]2.[Li:1].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[F:2][c:3]1[c:4]2[cH:5][c:6]([CH3:31])[nH:7][c:8]2[cH:9][cH:10][c:11]1[O:12][c:13]1[c:14]2[c:15]([n:16][cH:17][n:18]1)[nH:19][c:20](-[c:22]1[cH:23][cH:24][c:25]([C:26](=[O:28])[N:37]3[CH2:36][CH2:35][N:34]([CH2:32][CH3:33])[CH2:39][CH2:38]3)[cH:29][cH:30]1)[cH:21]2