Ethyl Acetate → HCID 69120230, compound
Reaction equation
[B-:32]([F:33])([F:34])([F:35])[F:36].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])[cH:14][cH:15][cH:16][c:17]1[O:18][CH3:19].[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[CH:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH2:59][CH3:60])([CH3:61])[CH3:62].[OH:20][C:21](=[O:22])[CH2:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([OH:29])[cH:30][cH:31]1.[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])[C:21](=[O:22])[CH2:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([OH:29])[cH:30][cH:31]2)[cH:14][cH:15][cH:16][c:17]1[O:18][CH3:19]Participants
7
Sources & evidence
- ORD record
- ord-793d6dfcc20444018f9d65eaef8632bc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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