Dimethylformamide → 6-Hydroxy-2-{4-[bis-(4-fluorophenyl)methyl]piperazin-1-ylcarbonyl}-1,4-benzodioxin

HRID 171376

Reaction equation

HRID 171376 reaction equation
[CH3:22][CH2:23][N:24]=[C:25]=[N:26][CH2:27][CH2:28][CH2:29][N:30]([CH3:31])[CH3:32].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:6][cH:7]1.[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[OH:43][c:44]1[cH:45][c:46]2[c:47]([cH:55][cH:56]1)[O:48][C:49]([C:52](=[O:53])[OH:54])=[CH:50][O:51]2>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH2:11][N:12]([C:52]([C:49]3=[CH:50][O:51][c:46]4[cH:45][c:44]([OH:43])[cH:56][cH:55][c:47]4[O:48]3)=[O:53])[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 1529321-(Bis(4-fluorophenyl)methyl)piperazineHCID 110632916-Hydroxy-1,4-benzodioxin-2-carboxylic acid

Product 1

HCID 98044716-Hydroxy-2-{4-[bis-(4-fluorophenyl)methyl]piperazin-1-ylcarbonyl}-1,4-benzodioxin

Sources & evidence

ORD record
ord-6aa1c07fc20843a698419c23b2a9b101
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…