3-Methyl-2-butenoic acid → HCID 67439735, compound
Reaction equation
[CH3:70][C:71](=[CH:72][C:73](=[O:74])[OH:75])[CH3:76].[CH3:77][C:78]([CH2:79][CH2:80][CH:81]=[CH2:82])=[CH:83][C:84]([OH:85])=[O:86].[O-:1][S:2]([C:3]([F:4])([F:5])[F:6])(=[O:7])=[O:8].[OH:41][CH:42]1[CH2:43][CH:44]([CH2:45][CH2:46][CH2:47][CH:48]=[CH2:49])[O:50][C:51]([CH:52]2[CH2:53][S:54][C:55](=[O:56])[N:57]2[CH2:58][c:59]2[cH:60][cH:61][c:62]([O:63][CH3:64])[cH:65][cH:66]2)([O:67][CH3:68])[CH2:69]1.[OH:9][CH:10]1[CH2:11][C:12]([O:24][CH3:25])([CH:26]2[N:27]([CH2:32][c:33]3[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]3)[C:28](=[O:31])[S:29][CH2:30]2)[O:13][CH:14]([CH2:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:15]1>>[O:9]([CH:10]1[CH2:11][C:12]([O:24][CH3:25])([CH:26]2[N:27]([CH2:32][c:33]3[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]3)[C:28](=[O:31])[S:29][CH2:30]2)[O:13][CH:14]([CH2:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:15]1)[C:73]([CH:72]=[C:71]([CH3:70])[CH3:76])=[O:74]Participants
6
Sources & evidence
- ORD record
- ord-322199bf8c9e448986cd993431793374
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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