HRID170627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID96750

5-Fluoro-1H-indole-3-acetic acid

C10H8FNO2

结构：COc1ccccc1C1(O)CCC(c2ccccc2)(c2ccccc2)C2CNCC21

HCID19376827

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C1(O)CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3c[nH]c4ccc(F)cc34)CC21

HCID178489426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00ee4f655e334ac8b438d367ef9d9967
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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