HRID1136166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)CC(C)(CCCN1CCC(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1

HCID22995529

未命名化合物

PRODUCTS

生成物

结构：CC(CCCN1CCC(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1)(CC(=O)O)c1ccccc1

HCID22995657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dc25588b704444090b04b24258aa686
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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