Water → 2-[4-(Benzoxazol-2-yl)piperazin-1-yl]-1-(2,3-dihydro-6-nitrospiro[imidazo[2,1-b]oxazole-2,4'-piperidin]-1'-yl)ethanone

HRID 209420Notes

Reaction equation

HRID 209420 reaction equation
[CH2:57]([Cl:58])[Cl:59].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:47][c:48]1[o:49][c:50]2[c:51]([n:52]1)[cH:53][cH:54][cH:55][cH:56]2.[N+:1](=[O:2])([O-:3])[c:4]1[n:5][c:6]2[n:10]([cH:11]1)[CH2:9][C:8]1([O:7]2)[CH2:12][CH2:13][N:14]([C:17]([CH2:18][N:19]2[CH2:20][CH2:21][N:22]([C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH2:23][CH2:24]2)=[O:32])[CH2:15][CH2:16]1.[OH2:60].[OH:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39]>>[N+:1](=[O:2])([O-:3])[c:4]1[n:5][c:6]2[n:10]([cH:11]1)[CH2:9][C:8]1([O:7]2)[CH2:12][CH2:13][N:14]([C:17]([CH2:18][N:19]2[CH2:20][CH2:21][N:22]([c:48]3[o:49][c:50]4[c:51]([n:52]3)[cH:53][cH:54][cH:55][cH:56]4)[CH2:23][CH2:24]2)=[O:32])[CH2:15][CH2:16]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 119862-ChlorobenzoxazoleHCID 69480722Tert-butyl 4-[2-(2,3-dihydro-6-nitrospiro[imidazo[2,1-b]oxazol-2,4'-piperidin]-1'-yl)-2-oxoethyl]piperazine-1-carboxylate

Product 1

HCID 694815622-[4-(Benzoxazol-2-yl)piperazin-1-yl]-1-(2,3-dihydro-6-nitrospiro[imidazo[2,1-b]oxazole-2,4'-piperidin]-1'-yl)ethanone

Sources & evidence

ORD record
ord-0265c2abb96c4bc1aaebcbda365182df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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