Ethanol → HCID 18442430, compound

HRID 155631Notes

Reaction equation

HRID 155631 reaction equation
[CH3:40][CH2:41][OH:42].[Na+:39].[O:1]=[S:2]1(=[O:37])[CH2:3][C:4]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:5][N:6]([c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[c:7]2[c:8]1[cH:9][c:10]([O:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:11]([S:13][CH3:14])[cH:12]2.[OH-:38]>>[O:1]=[S:2]1(=[O:37])[CH2:3][C:4]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:5][N:6]([c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[c:7]2[c:8]1[cH:9][c:10]([O:15][CH2:16][C:17](=[O:18])[OH:19])[c:11]([S:13][CH3:14])[cH:12]2

Participants

5

Sources & evidence

ORD record
ord-3a2f2203e45b40dca941ed74e2bce68e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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