Acetic Acid → HCID 70872397, compound
Reaction equation
[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[cH:15][c:16](-[c:30]3[cH:31][cH:32][c:33]([CH2:36][N:37]4[CH2:38][CH2:39][O:40][CH2:41][CH2:42]4)[cH:34][cH:35]3)[cH:17][c:18]([N:21]([CH:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[CH2:28][CH3:29])[c:19]2[CH3:20])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1.[CH3:43][C:44]([OH:45])=[O:46].[CH3:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[CH3:80][OH:81].[Cl:82][CH2:83][Cl:84].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:85].[OH:58][n:59]1[c:60]2[c:61]([cH:62][cH:63][cH:64][cH:65]2)[n:66][n:67]1>>[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[cH:15][c:16](-[c:30]3[cH:31][cH:32][c:33]([CH2:36][N:37]4[CH2:38][CH2:39][O:40][CH2:41][CH2:42]4)[cH:34][cH:35]3)[cH:17][c:18]([N:21]([CH:22]3[CH2:23][CH2:24][N:25]([C:44]([CH3:43])=[O:45])[CH2:26][CH2:27]3)[CH2:28][CH3:29])[c:19]2[CH3:20])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-66b3106c853f4141b7705c21cf86feac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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