Acetic Acid → HCID 57813473, compound
Reaction equation
[C:64]([OH:65])(=[O:66])[CH3:67].[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:48][CH3:49])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][c:35](-[c:40]4[cH:41][c:42]([CH:46]=[O:47])[cH:43][cH:44][cH:45]4)[cH:36][cH:37][c:38]3[CH3:39])[cH:26][cH:27][cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[Cl:68][CH2:69][Cl:70].[N:50]1([C:57]([O:58][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:63])[CH2:51][CH2:52][NH:53][CH2:54][CH2:55][CH2:56]1>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:48][CH3:49])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][c:35](-[c:40]4[cH:41][c:42]([CH2:46][N:50]5[CH2:51][CH2:52][NH:53][CH2:54][CH2:55][CH2:56]5)[cH:43][cH:44][cH:45]4)[cH:36][cH:37][c:38]3[CH3:39])[cH:26][cH:27][cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1Participants
5
Sources & evidence
- ORD record
- ord-f4106bca269143ca9d6f3d8ffe7e7d13
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…