HRID1129999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8021

Diethylamine

C4H11N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID11073648

n-boc-propargylamine

C8H13NO2

HCID46835488

(5-Chloro-2-iodophenyl)(2,6-difluorophenyl)methanone

C13H6ClF2IO

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC#Cc1ccc(Cl)cc1C(=O)c1c(F)cccc1F

HCID52911151

tert-Butyl {3-[4-chloro-2-(2,6-difluorobenzoyl)phenyl]prop-2-yn-1-yl}carbamate

C21H18ClF2NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fad1d89c63b64d73a491f998400b752b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24]([NH:25][CH2:26][C:27]#[CH:28])=[O:29].[CH2:30]([NH:31][CH2:32][CH3:33])[CH3:34].[Cl:1][c:2]1[cH:3][cH:4][c:5]([I:18])[c:6]([C:8](=[O:9])[c:10]2[c:11]([F:17])[cH:12][cH:13][cH:14][c:15]2[F:16])[cH:7]1.[Cl:35][CH2:36][Cl:37].[Pd:38]([Cl:39])[Cl:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:28]#[C:27][CH2:26][NH:25][C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:29])[c:6]([C:8](=[O:9])[c:10]2[c:11]([F:17])[cH:12][cH:13][cH:14][c:15]2[F:16])[cH:7]1