Acetonitrile → 6-[acetoxy-(5-ethoxy-7,8-dihydro-6H-3,4,8b-triaza-as-indacen-2-yl)-methyl]-6-bromo-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester
Reaction equation
[CH2:4]([CH3:5])[O:6][c:7]1[n:8][c:9]2[n:10][c:11]([CH:19]=[O:20])[cH:12][n:13]2[c:14]2[c:18]1[CH2:17][CH2:16][CH2:15]2.[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:1][C:2]#[N:3].[CH3:43][C:44](=[O:45])[O:46][C:47](=[O:48])[CH3:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[N+:21](=[O:22])([O-:23])[c:24]1[cH:25][cH:26][c:27]([CH2:28][O:29][C:30](=[O:31])[C:32]2=[CH:38][S:37][CH:36]3[N:33]2[C:34](=[O:40])[CH:35]3[Br:39])[cH:41][cH:42]1>>[CH2:4]([CH3:5])[O:6][c:7]1[n:8][c:9]2[n:10][c:11]([CH:19]([O:20][C:44]([CH3:43])=[O:45])[C:35]3([Br:39])[C:34](=[O:40])[N:33]4[C:32]([C:30]([O:29][CH2:28][c:27]5[cH:26][cH:25][c:24]([N+:21](=[O:22])[O-:23])[cH:42][cH:41]5)=[O:31])=[CH:38][S:37][CH:36]43)[cH:12][n:13]2[c:14]2[c:18]1[CH2:17][CH2:16][CH2:15]2Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-a367dd1e06964c1f98148a138ca093ac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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