HRID177127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID11073648

n-boc-propargylamine

C8H13NO2

结构：O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(I)ncc1Cl

HCID21906675

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC#Cc1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(Cl)cn1

HCID21906674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caeaf724383b4f56806ed444c4134b3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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