Water → HCID 54432274, compound
Reaction equation
[Al+3:30].[H-:29].[H-:32].[H-:33].[H-:34].[Li+:31].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH2:35].[c:1]1([CH:7]=[CH:8][c:9]2[o:10][cH:11][c:12]([CH2:14][S:15][c:16]3[cH:17][cH:18][c:19]([CH2:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:20][cH:21]3)[n:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]=[CH:8][c:9]2[o:10][cH:11][c:12]([CH2:14][S:15][c:16]3[cH:17][cH:18][c:19]([CH2:22][CH2:23][CH2:24][OH:25])[cH:20][cH:21]3)[n:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-bdfa8e0f9f7d48ed81a3a38c09e41007
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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