HRID2138987

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID68242

2-Furancarbonyl chloride

C5H3ClO2

结构：Cc1ccc(NC2CCN(CCC3(CCO)CCCCCCC3)CC2)cc1

HCID59714864

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(CCO)CCCCCCC3)CC2)cc1

HCID59714852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65176f72a2fd4926bc2e683931504ddc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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