HRID1563449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID11106509

4-(1-Piperazinyl)benzamide

C11H15N3O

HCID23288751

2-(1H-Inden-1-yl)ethan-1-ol

C11H12O

PRODUCTS

生成物

结构：NC(=O)c1ccc(N2CCN(CCC3C=Cc4ccccc43)CC2)cc1

HCID23288796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27036fc213574deba1667e09850b947e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:64]([OH:65])[CH2:66][OH:67].[CH3:13][N:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][n:20]1)[CH3:21].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:29][S:30](=[O:31])(=[O:32])[Cl:33].[CH:1]1([CH2:10][CH2:11][OH:12])[CH:2]=[CH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21.[CH:49]([N:50]([CH:51]([CH3:52])[CH3:53])[CH2:54][CH3:55])([CH3:56])[CH3:57].[N:34]1([c:40]2[cH:41][cH:42][c:43]([C:46](=[O:47])[NH2:48])[cH:44][cH:45]2)[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:63]>>[CH:1]1([CH2:10][CH2:11][N:37]2[CH2:36][CH2:35][N:34]([c:40]3[cH:41][cH:42][c:43]([C:46](=[O:47])[NH2:48])[cH:44][cH:45]3)[CH2:39][CH2:38]2)[CH:2]=[CH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21