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

HRID 1556522Notes

Reaction equation

HRID 1556522 reaction equation
[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Cl:1][c:2]1[n:3][c:4](-[c:7]2[cH:8][o:9][cH:10][cH:11]2)[n:5][s:6]1.[F:12][C:13]([F:14])([F:15])[C:16]([OH:17])=[O:18].[OH2:44].[o:19]1[n:20][c:21]([NH:28][C:29](=[O:30])[N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[c:22]2[c:23]1[cH:24][cH:25][cH:26][cH:27]2>>[c:2]1([N:34]2[CH2:33][CH2:32][N:31]([C:29]([NH:28][c:21]3[n:20][o:19][c:23]4[c:22]3[cH:27][cH:26][cH:25][cH:24]4)=[O:30])[CH2:36][CH2:35]2)[n:3][c:4](-[c:7]2[cH:8][o:9][cH:10][cH:11]2)[n:5][s:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 652671975-Chloro-3-(furan-3-yl)-1,2,4-thiadiazoleHCID 68724237Piperazine-1-carboxylic acid benzo[d]isoxazol-3-ylamide

Product 1

HCID 68780767N-1,2-Benzisoxazol-3-yl-4-[3-(3-furyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

Sources & evidence

ORD record
ord-d620941cf5374de2a8bf5e734e9b76a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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