Acetic Acid → HCID 178420257, compound
Reaction equation
[CH3:81][C:82](=[O:83])[OH:84].[OH2:85].[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][O:11][CH2:12][CH:13]2[CH2:14][c:15]3[c:16]([n:17]([C:20]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:18][n:19]3)[CH2:39][CH2:40]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:41]1([CH2:42][CH2:43][CH2:44][CH2:45][O:46][CH2:47][CH:48]2[CH2:49][CH2:50][c:51]3[n:52][cH:53][n:54]([C:55]([c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)([c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)[c:68]4[cH:69][cH:70][cH:71][cH:72][cH:73]4)[c:74]3[CH2:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][O:11][CH2:12][CH:13]2[CH2:14][c:15]3[c:16]([nH:17][cH:18][n:19]3)[CH2:39][CH2:40]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
5
Sources & evidence
- ORD record
- ord-18778d04690049839965fada37a311df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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