HRID700826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID802

Indole-3-acetic acid

C10H9NO2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID81531

Diisopropylethylamine

C8H19N

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

HCID21901951

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1ccc(OCC2CCCN(CCc3c[nH]c4ccccc34)C2)cc1

HCID21901986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbe1cac2820f42eca0c489c5c5cdf9a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Al+3:42].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:47][CH2:48][Cl:49].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH:9]2[CH2:10][NH:11][CH2:12][CH2:13][CH2:14]2)[cH:15][cH:16]1)([F:17])[F:18].[H-:41].[H-:44].[H-:45].[H-:46].[Li+:43].[OH2:50].[nH:19]1[cH:20][c:21]([CH2:28][C:29]([OH:30])=[O:31])[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]12>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH:9]2[CH2:10][N:11]([CH2:29][CH2:28][c:21]3[cH:20][nH:19][c:27]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[CH2:12][CH2:13][CH2:14]2)[cH:15][cH:16]1)([F:17])[F:18]