Methanol → 3-Cyano-6-chloro-2-[3-(tert-butoxycarbonyl)amino-benzo[d]isoxazol-5-ylmethyl]aminocarbonylmethyl-pyridine 1-oxide

HRID 195650Notes

Reaction equation

HRID 195650 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29]([NH:30][c:31]1[n:32][o:33][c:34]2[c:35]1[cH:36][c:37]([CH2:40][NH2:41])[cH:38][cH:39]2)=[O:42].[CH3:43][OH:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:22]#[N:23])[c:6]([CH2:9][C:10]([O:12][c:11]2[cH:13][cH:14][c:15]([N+:16]([O-:17])=[O:18])[cH:19][cH:20]2)=[O:21])[n+:7]1[O-:8]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:22]#[N:23])[c:6]([CH2:9][C:10](=[O:12])[NH:41][CH2:40][c:37]2[cH:36][c:35]3[c:31]([NH:30][C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:42])[n:32][o:33][c:34]3[cH:39][cH:38]2)[n+:7]1[O-:8]

Participants

6

Reactant 5

HCID 887MethanolHCID 8058HexaneHCID 8857Ethyl AcetateHCID 58972904tert-Butyl (5-(aminomethyl)benzo[d]isoxazol-3-yl)carbamateHCID 589729596-Chloro-3-cyano-2-(4-nitro-phenoxycarbonylmethyl)-pyridine 1-oxide

Product 1

HCID 589729233-Cyano-6-chloro-2-[3-(tert-butoxycarbonyl)amino-benzo[d]isoxazol-5-ylmethyl]aminocarbonylmethyl-pyridine 1-oxide

Sources & evidence

ORD record
ord-57b87c8edadc437bb3e48bc0c7394aab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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