HRID118650

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(CCCC(O)c3ccccc3)CC2)c1

HCID22048814

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OC(CCCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1

HCID20723013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98a4c52cad1b426ca0e8036aad2a70c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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