HRID1540278

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID23131007

未命名化合物

HCID178433052

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)N(CCO)C2CCN(C(=O)OC(C)(C)C)CC2)c[nH]1

HCID178433047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3499c09571914296892debf6b1ab671d
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

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