Water → N-1,2-Benzisoxazol-3-yl-4-[3-(phenoxymethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

HRID 696101Notes

Reaction equation

HRID 696101 reaction equation
[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl:1][c:2]1[n:3][c:4]([CH2:7][O:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:5][s:6]1.[F:15][C:16]([F:17])([F:18])[C:19]([OH:20])=[O:21].[OH2:47].[o:22]1[n:23][c:24]([NH:31][C:32](=[O:33])[N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2>>[c:2]1([N:37]2[CH2:36][CH2:35][N:34]([C:32]([NH:31][c:24]3[n:23][o:22][c:26]4[c:25]3[cH:30][cH:29][cH:28][cH:27]4)=[O:33])[CH2:39][CH2:38]2)[n:3][c:4]([CH2:7][O:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:5][s:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 542746325-Chloro-3-(phenoxymethyl)-1,2,4-thiadiazoleHCID 68724237Piperazine-1-carboxylic acid benzo[d]isoxazol-3-ylamide

Product 1

HCID 68777888N-1,2-Benzisoxazol-3-yl-4-[3-(phenoxymethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

Sources & evidence

ORD record
ord-82b67f2b19eb4f2fa363fbd58e075651
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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