Acetic Acid → HCID 59134116, compound
Reaction equation
[C:41]([BH3-:42])#[N:43].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:37][C:38]([CH3:39])=[O:40].[CH3:45][OH:46].[CH3:47][C:48](=[O:49])[OH:50].[NH2:1][CH:2]1[CH2:3][N:4]([S:25](=[O:26])(=[O:27])[c:28]2[c:29]([O:35][CH3:36])[cH:30][cH:31][c:32]([Cl:34])[cH:33]2)[CH:5]2[N:6]([C:7]1=[O:8])[CH:9]([CH2:17][c:18]1[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]1)[C:10](=[O:16])[N:11]([CH:13]([CH3:14])[CH3:15])[CH2:12]2.[Na+:44]>>[NH:1]([CH:2]1[CH2:3][N:4]([S:25](=[O:26])(=[O:27])[c:28]2[c:29]([O:35][CH3:36])[cH:30][cH:31][c:32]([Cl:34])[cH:33]2)[CH:5]2[N:6]([C:7]1=[O:8])[CH:9]([CH2:17][c:18]1[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]1)[C:10](=[O:16])[N:11]([CH:13]([CH3:14])[CH3:15])[CH2:12]2)[CH:38]([CH3:37])[CH3:39]Participants
8
Sources & evidence
- ORD record
- ord-13efc104ee7e4c5a95a7dec0d4c61153
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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