Acetic Acid → HCID 178506383, compound
Reaction equation
[CH3:99][C:100](=[O:101])[OH:102].[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([O:7][c:8]2[c:9]([CH2:10][O:11][CH2:12][CH:13]3[CH2:14][c:15]4[c:16]([n:17]([C:20]([c:21]5[cH:22][cH:23][cH:24][cH:25][cH:26]5)([c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)[c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[cH:18][n:19]4)[CH2:39][CH2:40]3)[cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47]1)([F:48])[F:49].[F:50][C:51]([F:52])([F:53])[O:54][c:55]1[cH:56][c:57]([O:61][c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[CH2:68][O:69][CH2:70][CH:71]2[CH2:72][CH2:73][c:74]3[n:75][cH:76][n:77]([C:78]([c:79]4[cH:80][cH:81][cH:82][cH:83][cH:84]4)([c:85]4[cH:86][cH:87][cH:88][cH:89][cH:90]4)[c:91]4[cH:92][cH:93][cH:94][cH:95][cH:96]4)[c:97]3[CH2:98]2)[cH:58][cH:59][cH:60]1.[OH2:103]>>[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([O:7][c:8]2[c:9]([CH2:10][O:11][CH2:12][CH:13]3[CH2:14][c:15]4[c:16]([nH:17][cH:18][n:19]4)[CH2:39][CH2:40]3)[cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47]1)([F:48])[F:49]Participants
5
Sources & evidence
- ORD record
- ord-120d1e1ee0fd460fbf6bc8eb78e143d9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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