HRID943770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1

HCID10120773

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(Nc1ccc(N2CCN(C(C(=O)O)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID10120349

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58f0760a6e664957a96bd25c9d0e975f
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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