HRID179680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2762762

4-(Pyrrolidin-1-yl)butan-1-amine

C8H18N2

结构：CCOC(=O)c1cc(-c2ccnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

HCID58218050

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCCCCN2CCCC2)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID67092805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a2b10ca3b0d4b2a8b0154f1db04ddc0
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

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6](-[n:9]2[n:10][cH:11][cH:12][c:13]2-[c:14]2[cH:15][c:16]([C:32]([O:34][CH2:33][CH3:35])=[O:36])[c:17](=[O:31])[n:18](-[c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)[c:19]2[CH3:20])[cH:7][cH:8]1.[N:37]1([CH2:42][CH2:43][CH2:44][CH2:45][NH2:46])[CH2:38][CH2:39][CH2:40][CH2:41]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6](-[n:9]2[n:10][cH:11][cH:12][c:13]2-[c:14]2[cH:15][c:16]([C:32](=[O:34])[NH:46][CH2:45][CH2:44][CH2:43][CH2:42][N:37]3[CH2:38][CH2:39][CH2:40][CH2:41]3)[c:17](=[O:31])[n:18](-[c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)[c:19]2[CH3:20])[cH:7][cH:8]1