HRID289667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID14788214

未命名化合物

结构：CN(C(=O)c1cc(Br)cc(C(F)(F)F)c1)C1CCNCC1c1ccccc1

HCID178485255

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1CCC(C(=O)N2CCC(N(C)C(=O)c3cc(Br)cc(C(F)(F)F)c3)C(c3ccccc3)C2)CC1

HCID68936603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e12123796f444708d9e83908c85a22c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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