Ethanol → HCID 67227843, compound

HRID 215044Notes

Reaction equation

HRID 215044 reaction equation
[CH3:36][CH2:37][OH:38].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Na+:35].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:34].[c:1]1([S:2](=[O:3])(=[O:4])[n:10]2[c:11]([C:19](=[CH:20][CH:21]3[CH2:22][CH2:23][CH2:24][CH2:25]3)[c:26]3[cH:27][c:28]([CH3:33])[cH:29][c:30]([CH3:32])[cH:31]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[nH:10]1[c:11]([C:19](=[CH:20][CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[c:26]2[cH:27][c:28]([CH3:33])[cH:29][c:30]([CH3:32])[cH:31]2)[cH:12][c:13]2[c:14]1[n:15][cH:16][cH:17][cH:18]2

Participants

7

Sources & evidence

ORD record
ord-17d602690399442387e83f2ad2873b7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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