Ethanol → HCID 15671983, compound

HRID 138649Notes

Reaction equation

HRID 138649 reaction equation
[CH3:29][CH2:30][OH:31].[Cl:3][c:4]1[c:5](-[c:12]2[c:13]([Cl:27])[cH:14][c:15]([Cl:26])[c:16]([S:18][CH:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH3:25])[cH:17]2)[n:6][n:7]([CH3:11])[c:8]1[S:9][CH3:10].[Na+:2].[OH-:1].[OH2:28]>>[Cl:3][c:4]1[c:5](-[c:12]2[c:13]([Cl:27])[cH:14][c:15]([Cl:26])[c:16]([S:18][CH:19]([C:20](=[O:21])[OH:22])[CH3:25])[cH:17]2)[n:6][n:7]([CH3:11])[c:8]1[S:9][CH3:10]

Participants

6

Sources & evidence

ORD record
ord-39a81685c7df4f88bfb6f8eb5807ce98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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