HRID145564

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID2774898

2-(4-chlorophenoxy)pyridine-3-carbonyl chloride

C12H7Cl2NO2

HCID16757470

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)c3cccnc3Oc3ccc(Cl)cc3)CC2)c1

HCID22048915

2-(4-Chlorophenoxy)-N-(3-{4-[3-(isobutyrylamino)phenyl]-1-piperidinyl}propyl)nicotinamide

C30H35ClN4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d53a1a1ec3e34f2299c121ca3d4bfe2b
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

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