HRID102030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6341

Ethanamine

C2H7N

结构：CC(C)(C)OC(=O)c1c(COc2ccc(-c3ccc(CC(=O)O)cc3)cc2)ccc(C(F)(F)F)c1O

HCID11555148

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(O)c3C(=O)OC(C)(C)C)cc2)cc1

HCID86617420

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec383f8af7644a86b26c0dffdb53dcad
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([CH2:10][O:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([CH2:24][C:25](=[O:26])[OH:27])[cH:22][cH:23]3)[cH:16][cH:17]2)[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[c:31]1[OH:32].[CH2:38]([CH3:39])[NH2:40].[ClH:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([CH2:10][O:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([CH2:24][C:25](=[O:26])[NH:40][CH2:38][CH3:39])[cH:22][cH:23]3)[cH:16][cH:17]2)[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[c:31]1[OH:32]