Acetonitrile → [3,5-Difluoro-4-(4-methoxy-benzylamino)-phenyl]-(4-ethyl-piperazin-1-yl)-methanone

HRID 193405Notes

Reaction equation

HRID 193405 reaction equation
[CH2:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH:27]([CH3:28])[CH3:29])[CH3:30].[CH2:41]([CH3:42])[N:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1.[CH3:49][C:50]#[N:51].[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([F:21])[c:10]1[NH:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1.[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[N:46]2[CH2:45][CH2:44][N:43]([CH2:41][CH3:42])[CH2:48][CH2:47]2)[cH:8][c:9]([F:21])[c:10]1[NH:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 757711-HydroxybenzotriazoleHCID 791961-EthylpiperazineHCID 81531DiisopropylethylamineHCID 59244777HCID 59244777, compound

Product 1

HCID 59244390[3,5-Difluoro-4-(4-methoxy-benzylamino)-phenyl]-(4-ethyl-piperazin-1-yl)-methanone

Sources & evidence

ORD record
ord-7b5aa606da5c45a4953f63faeb6fc63a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…