Water → HCID 68779465, compound

HRID 308006Notes

Reaction equation

HRID 308006 reaction equation
[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[Cl:1][c:2]1[n:3][c:4]([N:7]2[CH2:8][CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]2)[n:5][s:6]1.[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[OH2:52].[o:27]1[n:28][c:29]([NH:36][C:37](=[O:38])[N:39]2[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]2)[c:30]2[c:31]1[cH:32][cH:33][cH:34][cH:35]2>>[c:2]1([N:42]2[CH2:41][CH2:40][N:39]([C:37]([NH:36][c:29]3[n:28][o:27][c:31]4[c:30]3[cH:35][cH:34][cH:33][cH:32]4)=[O:38])[CH2:44][CH2:43]2)[n:3][c:4]([N:7]2[CH2:8][CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]2)[n:5][s:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 665236951,1-Dimethylethyl 4-(5-chloro-1,2,4-thiadiazol-3-yl)-1-piperazinecarboxylateHCID 68724237Piperazine-1-carboxylic acid benzo[d]isoxazol-3-ylamide

Product 1

HCID 68779465HCID 68779465, compound

Sources & evidence

ORD record
ord-26be29024c41480689fe4abdba6628c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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