Ethanol → 3-Tert-butylamino-4-[(5-nitro-benzofuran-2-ylmethyl)-amino]-cyclobut-3-ene-1,2-dione
Reaction equation
[CH2:1]([O:2][c:6]1[c:7](=[O:25])[c:8](=[O:24])[c:9]1[NH:10][CH2:11][c:12]1[o:13][c:14]2[c:15]([cH:16]1)[cH:17][c:18]([N+:21](=[O:22])[O-:23])[cH:19][cH:20]2)[CH2:3][CH2:4][CH3:5].[CH3:26][C:27]([CH3:28])([CH3:29])[NH2:30].[CH3:31][CH2:32][OH:33]>>[c:6]1([NH:30][C:27]([CH3:26])([CH3:28])[CH3:29])[c:7](=[O:25])[c:8](=[O:24])[c:9]1[NH:10][CH2:11][c:12]1[o:13][c:14]2[c:15]([cH:16]1)[cH:17][c:18]([N+:21](=[O:22])[O-:23])[cH:19][cH:20]2Participants
4
Sources & evidence
- ORD record
- ord-e94b2f3d7c9c467290c7696cbf4a3aef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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