HRID1552441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID6484187

1-Isopropylpiperidine-4-carboxylic acid

C9H17NO2

HCID21906418

2-Amino-5-chloro-N-(5-chloropyridin-2-yl)benzamide

C12H9Cl2N3O

PRODUCTS

生成物

结构：CC(C)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1

HCID9912650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cc6afe0c772465785bed6819714e478
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:11])[OH:12])[CH2:8][CH2:9]1.[Cl:13][C:14]([O:15][CH2:16][CH:17]([CH3:18])[CH3:19])=[O:20].[NH2:21][c:22]1[c:23]([C:24](=[O:25])[NH:26][c:27]2[n:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:34][c:35]([Cl:38])[cH:36][cH:37]1.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:12])[NH:21][c:22]2[c:23]([C:24](=[O:25])[NH:26][c:27]3[n:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[cH:34][c:35]([Cl:38])[cH:36][cH:37]2)[CH2:8][CH2:9]1