Ammonium → 4-[4-(4-Ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoyl]piperazine-2,6-dione

HRID 2347461Notes

Reaction equation

HRID 2347461 reaction equation
[CH2:40]([CH3:41])[c:42]1[cH:43][c:44]([O:60][CH3:61])[c:45]([O:46][c:47]2[c:48]([F:56])[cH:49][c:50]([C:51](=[O:52])[OH:53])[cH:54][cH:55]2)[cH:57][c:58]1[F:59].[CH3:19][CH2:20][N:21]=[C:22]=[N:23][CH2:24][CH2:25][CH2:26][N:27]([CH3:28])[CH3:29].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl-:62].[Cl:64][CH2:65][Cl:66].[ClH:10].[NH4+:63].[NH:11]1[C:12](=[O:18])[CH2:13][NH:14][CH2:15][C:16]1=[O:17].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1>>[NH:11]1[C:12](=[O:18])[CH2:13][N:14]([C:51]([c:50]2[cH:49][c:48]([F:56])[c:47]([O:46][c:45]3[c:44]([O:60][CH3:61])[cH:43][c:42]([CH2:40][CH3:41])[c:58]([F:59])[cH:57]3)[cH:55][cH:54]2)=[O:52])[CH2:15][C:16]1=[O:17]

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 338690Piperazine-2,6-dioneHCID 671160464-(4-Ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoic acid

Product 1

HCID 671160884-[4-(4-Ethyl-5-fluoro-2-methoxyphenoxy)-3-fluorobenzoyl]piperazine-2,6-dione

Sources & evidence

ORD record
ord-7276554c664f40f48ab85cef54de24c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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