HRID934437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID4131669

2-Butyn-1-yl chloroformate

C5H5ClO2

结构：CN(C)C(=O)N1CCC2(CCN(C3CCNCC3)CC2)c2ccccc21

HCID24798103

未命名化合物

PRODUCTS

生成物

结构：CC#CCOC(=O)N1CCC(N2CCC3(CCN(C(=O)N(C)C)c4ccccc43)CC2)CC1

HCID24797832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c499d3e84ba47d08af81011504c1780
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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