Tetrahydrofuran → 1,1-Dimethylethyl 4-[(6-bromo-1,2-benzisoxazol-3-yl)acetyl]-1-piperazinecarboxylate

HRID 306984Notes

Reaction equation

HRID 306984 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH2:9][C:10](=[O:11])[OH:12])[n:7][o:8]2)[cH:13][cH:14]1.[N:49]1([C:55](=[O:56])[O:57][C:58]([CH3:59])([CH3:60])[CH3:61])[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1.[P-:15]([F:16])([F:17])([F:18])([F:19])([F:20])[F:21].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[n:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH2:9][C:10](=[O:12])[N:52]3[CH2:51][CH2:50][N:49]([C:55](=[O:56])[O:57][C:58]([CH3:59])([CH3:60])[CH3:61])[CH2:54][CH2:53]3)[n:7][o:8]2)[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 143452tert-Butyl piperazine-1-carboxylateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 591273762-(6-Bromo-1,2-benzoxazol-3-yl)acetic acid

Product 1

HCID 586564751,1-Dimethylethyl 4-[(6-bromo-1,2-benzisoxazol-3-yl)acetyl]-1-piperazinecarboxylate

Sources & evidence

ORD record
ord-49d4dcdf46de4d29a11f69e2e15f79b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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