Ethanol → HCID 67265683, compound

HRID 212271Notes

Reaction equation

HRID 212271 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][NH:6][C:7]([CH2:8][CH2:9][c:10]1[c:11]([CH2:34][CH3:35])[cH:12][c:13](-[c:17]2[n:18][o:19][c:20](-[c:22]3[s:23][c:24]([CH2:28][N:29]([CH3:30])[CH:31]([CH3:32])[CH3:33])[c:25]([CH3:27])[cH:26]3)[n:21]2)[cH:14][c:15]1[CH3:16])=[O:36])=[O:37].[CH3:38][CH2:39][OH:40].[Na+:42].[OH-:41]>>[O:3]=[C:4]([CH2:5][NH:6][C:7]([CH2:8][CH2:9][c:10]1[c:11]([CH2:34][CH3:35])[cH:12][c:13](-[c:17]2[n:18][o:19][c:20](-[c:22]3[s:23][c:24]([CH2:28][N:29]([CH3:30])[CH:31]([CH3:32])[CH3:33])[c:25]([CH3:27])[cH:26]3)[n:21]2)[cH:14][c:15]1[CH3:16])=[O:36])[OH:37]

Participants

5

Sources & evidence

ORD record
ord-fefb7bb48bcd4f7499c75b6b76f76e51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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