HRID2124036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8452

Cyclopentanone

C5H8O

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(F)c(N)cc2n1Cc1ccccc1

HCID59762400

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(F)c(NC3CCCC3)cc2n1Cc1ccccc1

HCID59762361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad54108ac5d24a97bb83ca040a176762
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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