Acetic Acid → HCID 178473644, compound
Reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[n:6]([n:7]1)[n:8]([CH2:24][c:25]1[cH:26][cH:27][c:28](-[c:31]3[c:32](-[c:37]4[n:38][n:39][n:40][n:41]4[C:42]([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)([c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[c:55]4[cH:56][cH:57][cH:58][cH:59][cH:60]4)[cH:33][cH:34][cH:35][cH:36]3)[cH:29][cH:30]1)[c:9]([C:13](=[O:14])[O:15][CH:16]([CH3:17])[O:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:10]2[CH2:11][CH3:12].[CH3:61][OH:62].[CH3:63][C:64](=[O:65])[OH:66]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[n:6]([n:7]1)[n:8]([CH2:24][c:25]1[cH:26][cH:27][c:28](-[c:31]3[c:32](-[c:37]4[n:38][n:39][n:40][nH:41]4)[cH:33][cH:34][cH:35][cH:36]3)[cH:29][cH:30]1)[c:9]([C:13](=[O:14])[O:15][CH:16]([CH3:17])[O:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:10]2[CH2:11][CH3:12]Participants
4
Sources & evidence
- ORD record
- ord-d685054deeec4f66a5daefad30348915
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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