Ethanol → HCID 67229022, compound

HRID 696217Notes

Reaction equation

HRID 696217 reaction equation
[CH3:38][CH2:39][OH:40].[Cl:46][CH2:47][Cl:48].[Na+:37].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH-:36].[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][cH:28][c:29]([C:32]([CH3:33])([CH3:34])[OH:35])[cH:30][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][cH:28][c:29]([C:32]([CH3:33])([CH3:34])[OH:35])[cH:30][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-463bcbe909fe4c84bed2eba83d21412c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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