HRID205697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID693792

1,2,2,6,6-Pentamethylpiperidin-4-amine

C10H22N2

结构：O=C(Cl)c1ccc(-n2[nH]c3c(nnc4c(F)cccc43)c2=O)cc1

HCID58974858

未命名化合物

PRODUCTS

生成物

结构：CN1C(C)(C)CC(NC(=O)c2ccc(-n3[nH]c4c(nnc5c(F)cccc54)c3=O)cc2)CC1(C)C

HCID58974915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c470ff515640406c8fc5c9d63cc9e004
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:47]([OH:48])[CH2:49][CH2:50][CH3:51].[CH:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31])([CH3:32])[CH3:33].[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]3[c:8]([n:9][n:10][c:11]12)[c:12](=[O:24])[n:13](-[c:15]1[cH:16][cH:17][c:18]([C:19](=[O:20])[Cl:21])[cH:22][cH:23]1)[nH:14]3.[NH2:34][CH:35]1[CH2:36][C:37]([CH3:44])([CH3:45])[N:38]([CH3:43])[C:39]([CH3:41])([CH3:42])[CH2:40]1.[OH2:46]>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]3[c:8]([n:9][n:10][c:11]12)[c:12](=[O:24])[n:13](-[c:15]1[cH:16][cH:17][c:18]([C:19](=[O:20])[NH:34][CH:35]2[CH2:36][C:37]([CH3:44])([CH3:45])[N:38]([CH3:43])[C:39]([CH3:41])([CH3:42])[CH2:40]2)[cH:22][cH:23]1)[nH:14]3