HRID143845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID7361

Furfuryl alcohol

C5H6O2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCNCC2)cc1

HCID9801260

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccco3)CC2)cc1

HCID10116824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97eeecdc5993419d87d1ed16eae7b7a2
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

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