Ethanol → HCID 178439423, compound

HRID 209556Notes

Reaction equation

[CH3:63][CH2:64][OH:65].[H:61][H:62].[OH:1][CH:2]1[CH2:3][CH:4]2[CH2:5][CH:6]([OH:60])[CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([CH:12]([CH2:13][CH2:14][C:15](=[O:16])[O:17][c:18]5[c:19]([CH:46]([CH3:47])[CH3:48])[cH:20][c:21]([O:24][c:25]6[c:26]([Cl:45])[cH:27][c:28]([NH:32][C:33]([C:34](=[O:35])[O:36][CH2:37][c:38]7[cH:39][cH:40][cH:41][cH:42][cH:43]7)=[O:44])[cH:29][c:30]6[Cl:31])[cH:22][cH:23]5)[CH3:49])[C:50]4([CH3:59])[CH:51]([OH:58])[CH2:52][CH:53]3[C:54]2([CH3:57])[CH2:55][CH2:56]1>>[OH:1][CH:2]1[CH2:3][CH:4]2[CH2:5][CH:6]([OH:60])[CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([CH:12]([CH2:13][CH2:14][C:15](=[O:16])[O:17][c:18]5[c:19]([CH:46]([CH3:47])[CH3:48])[cH:20][c:21]([O:24][c:25]6[c:26]([Cl:45])[cH:27][c:28]([NH:32][C:33]([C:34](=[O:35])[OH:36])=[O:44])[cH:29][c:30]6[Cl:31])[cH:22][cH:23]5)[CH3:49])[C:50]4([CH3:59])[CH:51]([OH:58])[CH2:52][CH:53]3[C:54]2([CH3:57])[CH2:55][CH2:56]1

Participants

Reactant 3

HCID 702Ethanol

HCID 178418361HCID 178418361, compound

HCID 178439424HCID 178439424, compound

Product 1

HCID 178439423HCID 178439423, compound

Sources & evidence

ORD record: ord-d1b9bca186884b00853b950988140761
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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