Acetic Acid → HCID 19865441, compound
Reaction equation
[CH2:25]([CH3:26])[N:27]([C:28](=[O:29])[Cl:30])[CH2:31][CH3:32].[CH3:52][C:53](=[O:54])[OH:55].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[N:33]#[N:34].[N:35]12[CH2:36][CH2:37][CH2:38][N:39]=[C:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2.[OH-:1].[OH:2][c:3]1[c:4]([NH+:20]2[CH2:21][CH2:22][CH2:23][CH2:24]2)[c:5](=[O:19])[n:6](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:7]2[n:8][cH:9][cH:10][cH:11][c:12]12.[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[O:2]([c:3]1[c:4]([N:20]2[CH2:21][CH2:22][CH2:23][CH2:24]2)[c:5](=[O:19])[n:6](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:7]2[n:8][cH:9][cH:10][cH:11][c:12]12)[C:28]([N:27]([CH2:25][CH3:26])[CH2:31][CH3:32])=[O:29]Participants
10
Sources & evidence
- ORD record
- ord-bf86ab1cbff34c91aafa10cd280b1e18
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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