HRID695161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7504

Benzylamine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4377950

6-Heptynoic acid

C7H10O2

PRODUCTS

生成物

HCID59712293

N-(Phenylmethyl)-6-heptynamide

C14H17NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ad2e908b11e49258b9fe67a261be53e
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

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