Water → HCID 178475187, compound
Reaction equation
[O:1]1[CH:2]([CH:6]([CH3:7])[CH:8]2[CH2:9][CH2:10][CH:11]3[C:12]4=[CH:13][CH:14]=[C:15]5[CH2:16][CH:17]([O:36][C:37]([CH3:38])=[O:39])[CH2:18][CH:19]([O:27][C:28]([c:29]6[cH:30][cH:31][cH:32][cH:33][cH:34]6)=[O:35])[C:20]5([CH3:21])[CH:22]4[CH2:23][CH2:24][C:25]23[CH3:26])[O:5][CH2:4][CH2:3]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:40].[c:41]1([CH3:42])[cH:43][cH:44][c:45]([S:46]([OH:47])(=[O:48])=[O:49])[cH:50][cH:51]1>>[O:1]=[CH:2][CH:6]([CH3:7])[CH:8]1[CH2:9][CH2:10][CH:11]2[C:12]3=[CH:13][CH:14]=[C:15]4[CH2:16][CH:17]([O:36][C:37]([CH3:38])=[O:39])[CH2:18][CH:19]([O:27][C:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)=[O:35])[C:20]4([CH3:21])[CH:22]3[CH2:23][CH2:24][C:25]12[CH3:26]Participants
5
Sources & evidence
- ORD record
- ord-43413bd16d71479fbc140375fb3a7ce7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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