HRID101409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11073648

n-boc-propargylamine

C8H13NO2

结构：CC(C)(C)OC(=O)NCC#Cc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)cc1

HCID67198932

未命名化合物

PRODUCTS

生成物

结构：NCC#Cc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)cc1

HCID59851451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff08019c623441c68df68aed550983ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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