Water → HCID 178442055, compound
Reaction equation
[Al+3:40].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[H-:39].[H-:42].[H-:43].[H-:44].[Li+:41].[OH2:45].[c:1]1([CH3:2])[c:3]([S:4]([O:5][CH2:11][CH2:12][CH2:13][CH:14]([CH3:15])[CH:16]2[CH2:17][CH:18]=[C:19]3[C:20]4=[C:30]([C:28]5([CH3:29])[CH:23]([CH2:22][CH2:21]4)[C:24]([CH3:36])([CH3:37])[CH:25]([OH:35])[CH2:26][CH2:27]5)[CH2:31][CH2:32][C:33]23[CH3:34])(=[O:6])=[O:7])[cH:8][cH:9][cH:10][cH:38]1>>[CH3:11][CH2:12][CH2:13][CH:14]([CH3:15])[CH:16]1[CH2:17][CH:18]=[C:19]2[C:20]3=[C:30]([C:28]4([CH3:29])[CH:23]([CH2:22][CH2:21]3)[C:24]([CH3:36])([CH3:37])[CH:25]([OH:35])[CH2:26][CH2:27]4)[CH2:31][CH2:32][C:33]12[CH3:34]Participants
7
Sources & evidence
- ORD record
- ord-24232226d9d6401f8642947b2da9c8ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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