Acetonitrile → HCID 178475816, compound

HRID 667460Notes

Reaction equation

HRID 667460 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][C:43](=[O:44])[O:45][C:46](=[O:47])[CH3:48].[CH3:49][C:50]#[N:51].[N+:13](=[O:14])([O-:15])[c:16]1[cH:17][cH:18][c:19]([CH2:20][O:21][C:22](=[O:23])[C:24]2=[CH:30][S:29][CH:28]3[N:25]2[C:26](=[O:32])[CH:27]3[Br:31])[cH:33][cH:34]1.[O:1]=[C:2]1[O:3][CH2:4][CH2:5][n:6]2[c:7]1[cH:8][c:9]([CH:11]=[O:12])[n:10]2>>[O:1]=[C:2]1[O:3][CH2:4][CH2:5][n:6]2[c:7]1[cH:8][c:9]([CH:11]([O:12][C:43]([CH3:42])=[O:44])[C:27]1([Br:31])[C:26](=[O:32])[N:25]3[C:24]([C:22]([O:21][CH2:20][c:19]4[cH:18][cH:17][c:16]([N+:13](=[O:14])[O-:15])[cH:34][cH:33]4)=[O:23])=[CH:30][S:29][CH:28]31)[n:10]2

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 7918Acetic AnhydrideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 21941485HCID 21941485, compoundHCID 684433356-Bromo-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester

Product 1

HCID 178475816HCID 178475816, compound

Sources & evidence

ORD record
ord-6e2db11880654489be25ee2f7c89a06e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…