Dichloromethane → tert-Butyl (3-(4-chloro-2-(2,6-difluorobenzoyl)phenyl)prop-2-yn-1-yl)carbamate

HRID 1129999Notes

Reaction equation

HRID 1129999 reaction equation
[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

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 8021DiethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 11073648tert-butyl N-(prop-2-yn-1-yl)carbamateHCID 46835488(5-Chloro-2-iodophenyl)(2,6-difluorophenyl)methanone

Product 1

HCID 52911151tert-Butyl (3-(4-chloro-2-(2,6-difluorobenzoyl)phenyl)prop-2-yn-1-yl)carbamate

Sources & evidence

ORD record
ord-fad1d89c63b64d73a491f998400b752b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…