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

HRID 687305Notes

Reaction equation

HRID 687305 reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl:1][c:2]1[n:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[n:5][s:6]1.[F:14][C:15]([F:16])([F:17])[C:18]([OH:19])=[O:20].[OH2:46].[o:21]1[n:22][c:23]([NH:30][C:31](=[O:32])[N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[c:24]2[c:25]1[cH:26][cH:27][cH:28][cH:29]2>>[c:2]1([N:36]2[CH2:35][CH2:34][N:33]([C:31]([NH:30][c:23]3[n:22][o:21][c:25]4[c:24]3[cH:29][cH:28][cH:27][cH:26]4)=[O:32])[CH2:38][CH2:37]2)[n:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[n:5][s:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 463184645-Chloro-3-(4-chlorophenyl)-1,2,4-thiadiazoleHCID 68724237Piperazine-1-carboxylic acid benzo[d]isoxazol-3-ylamide

Product 1

HCID 68780033N-1,2-Benzisoxazol-3-yl-4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

Sources & evidence

ORD record
ord-110e6f83f9104a0189a73604edf87ab4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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