Acetic Acid → HCID 59397957, compound
Reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[C:54](=[O:55])([O-:56])[OH:57].[CH2:67]([Cl:68])[Cl:69].[CH3:63][C:64](=[O:65])[OH:66].[CH:23](=[O:24])[c:25]1[cH:26][cH:27][c:28]([CH3:39])[c:29]([NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[cH:30]1.[CH:59]([Cl:60])([Cl:61])[Cl:62].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:22])[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][c:19]23)[CH2:6][CH2:7]1.[Na+:53].[Na+:58]>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:22])[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][c:19]23)[CH2:6][CH2:7]1)[CH2:23][c:25]1[cH:26][cH:27][c:28]([CH3:39])[c:29]([NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[cH:30]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-e13abbe394e446098c768f03bd69f24e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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