Acetic Acid → HCID 178420502, compound
Reaction equation
[CH3:89][C:90](=[O:91])[OH:92].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c: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:41][cH:42][cH:43][cH:44]1.[O:45]([c:46]1[cH:47][cH:48][cH:49][cH:50][c:51]1[CH2:52][O:53][CH2:54][CH:55]1[CH2:56][CH2:57][c:58]2[n:59][cH:60][n:61]([C:62]([c:63]3[cH:64][cH:65][cH:66][cH:67][cH:68]3)([c:69]3[cH:70][cH:71][cH:72][cH:73][cH:74]3)[c:75]3[cH:76][cH:77][cH:78][cH:79][cH:80]3)[c:81]2[CH2:82]1)[c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[OH2:93]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c: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:41][cH:42][cH:43][cH:44]1Participants
5
Sources & evidence
- ORD record
- ord-e05997294d7c4ecb82ca48abeada5009
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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