HRID150983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID18731

2-Furoic acid hydrazide

C5H6N2O2

结构：Nc1nc(Cl)c2ccn(CCN3CCN(c4ccc(F)cc4F)CC3)c2n1

HCID86623469

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(NNC(=O)c2ccco2)c2ccn(CCN3CCN(c4ccc(F)cc4F)CC3)c2n1

HCID68414926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4dc686db6d74c5ab11c927cafe95922
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

[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([NH2:8])[n:7]1)[n:9]([CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][N:17]([c:20]3[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH2:18][CH2:19]1)[cH:10][cH:11]2.[o:28]1[c:29]([C:33](=[O:34])[NH:35][NH2:36])[cH:30][cH:31][cH:32]1>>[c:2]1([NH:36][NH:35][C:33]([c:29]2[o:28][cH:32][cH:31][cH:30]2)=[O:34])[c:3]2[c:4]([n:5][c:6]([NH2:8])[n:7]1)[n:9]([CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][N:17]([c:20]3[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH2:18][CH2:19]1)[cH:10][cH:11]2