HRID172421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736581

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride

C11H6Cl2FNO2

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCC(N)c3ccccc3)CC2)c1

HCID22048665

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1

HCID22049111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa7dee2c17294cbda8a97aa3294c4bb8
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

[Cl:29][c:30]1[c:31](-[c:37]2[n:38][o:39][c:40]([CH3:45])[c:41]2[C:42](=[O:43])[Cl:44])[c:32]([F:36])[cH:33][cH:34][cH:35]1.[NH2:1][CH: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:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[NH:1]([CH: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:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[C:42]([c:41]1[c:37](-[c:31]2[c:30]([Cl:29])[cH:35][cH:34][cH:33][c:32]2[F:36])[n:38][o:39][c:40]1[CH3:45])=[O:43]