HRID171288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID23432

Cyclohexanamine, 2-methyl-

C7H15N

结构：O=C1C2=C(CCCC2)C(=O)N1c1cc(OC2CCCC2)c(Cl)cc1F

HCID15279390

2-[4-Chloro-5-(cyclopentyloxy)-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione

C19H19ClFNO3

PRODUCTS

生成物

结构：CC1CCCCC1NC(=O)C1=C(C(=O)Nc2cc(OC3CCCC3)c(Cl)cc2F)CCCC1

HCID19425309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-280fc5497ad84af3b07e49f928d77545
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

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