HRID1123831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID69475

2-Propynoic acid, 3-phenyl-

C9H6O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

HCID235944

2-[4-(Aminomethyl)phenoxy]-N,N-diethylethan-1-amine

C13H22N2O

PRODUCTS

生成物

结构：CCN(CC)CCOc1ccc(CNC(=O)C#Cc2ccccc2)cc1

HCID68816767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6316710354a143ec84f8bcc81fda083e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B-:28]([F:29])([F:30])([F:31])[F:32].[CH2:12]([CH3:13])[N:14]([CH2:15][CH2:16][O:17][c:18]1[cH:19][cH:20][c:21]([CH2:24][NH2:25])[cH:22][cH:23]1)[CH2:26][CH3:27].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:50][n:51]1[c:52]2[c:53]([cH:54][cH:55][cH:56][cH:57]2)[n:58][n:59]1.[c:1]1([C:7]#[C:8][C:9](=[O:10])[OH:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[c:1]1([C:7]#[C:8][C:9](=[O:11])[NH:25][CH2:24][c:21]2[cH:20][cH:19][c:18]([O:17][CH2:16][CH2:15][N:14]([CH2:12][CH3:13])[CH2:26][CH3:27])[cH:23][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1