Benzene → 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile
Reaction equation
[C:29]([CH3:30])([CH3:31])([CH3:32])[OH:33].[CH3:12][N:13]([CH3:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[Cl:21][C:22](=[O:23])[O:24][C:25]([Cl:26])([Cl:27])[Cl:28].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:46].[OH:1][N:2]=[C:3]([C:4]#[N:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[O:1]([N:2]=[C:3]([C:4]#[N:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:22](=[O:23])[O:33][C:29]([CH3:30])([CH3:31])[CH3:32]Participants
9
Sources & evidence
- ORD record
- ord-40acce9bfd6c4e93b60bfe4de6a72305
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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