Acetate → HCID 178502652, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([N:10]([CH:11]2[CH2:12][CH2:13][N:14]([CH:17]([CH2:18][CH2:19][NH:20][C:21](=[O:22])[c:23]3[c:24]([CH3:30])[n:25][cH:26][n:27][c:28]3[CH3:29])[CH3:31])[CH2:15][CH2:16]2)[CH2:32][c:33]2[cH:34][s:35][cH:36][cH:37]2)[cH:8][cH:9]1.[C:42]([O-:43])(=[O:44])[CH3:45].[CH3:47][OH:48].[ClH:38].[Na+:46].[O:39]([CH3:40])[NH2:41]>>[C:1]([CH3:2])([c:4]1[cH:5][cH:6][c:7]([N:10]([CH:11]2[CH2:12][CH2:13][N:14]([CH:17]([CH2:18][CH2:19][NH:20][C:21](=[O:22])[c:23]3[c:24]([CH3:30])[n:25][cH:26][n:27][c:28]3[CH3:29])[CH3:31])[CH2:15][CH2:16]2)[CH2:32][c:33]2[cH:34][s:35][cH:36][cH:37]2)[cH:8][cH:9]1)=[N:41][O:39][CH3:40]Participants
7
Sources & evidence
- ORD record
- ord-89e80413c7ee48269818d44d7116c69d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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