HRID125674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID62406

未命名化合物

HCID13616248

2-(5-Fluoro-1H-indol-3-yl)ethan-1-ol

C10H10FNO

HCID68696249

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(Nc2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12

HCID59198544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e75018cf5254a649726df79697e9b9b
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

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