Ethanol → HCID 11800280, compound

HRID 148578Notes

Reaction equation

HRID 148578 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[n:6][c:7]([CH3:38])[c:8]([C:34](=[O:35])[O:36][CH3:37])[c:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[c:18]([S:23](=[O:24])(=[O:25])[NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:19][cH:20][cH:21][cH:22]2)[cH:15][cH:16]1.[CH3:41][CH2:42][OH:43].[Na+:40].[OH-:39]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[n:6][c:7]([CH3:38])[c:8]([C:34](=[O:35])[OH:36])[c:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[c:18]([S:23](=[O:24])(=[O:25])[NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:19][cH:20][cH:21][cH:22]2)[cH:15][cH:16]1

Participants

5

Sources & evidence

ORD record
ord-9fac44f08f9a4c99b3a4adfe0e424861
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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