Ethanol → HCID 19036262, compound

HRID 212687Notes

Reaction equation

HRID 212687 reaction equation
[C:5](=[O:6])([CH3:7])[O:8][CH2:9][c:10]1[n:11]([CH2:24][c:25]2[cH:26][cH:27][c:28](-[c:31]3[c:32](-[c:37]4[n:38][n:39][n:40][n:41]4[C:42]([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)([c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[c:55]4[cH:56][cH:57][cH:58][cH:59][cH:60]4)[cH:33][cH:34][cH:35][cH:36]3)[cH:29][cH:30]2)[c:12]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:13]([C:15]([CH3:16])([CH3:17])[OH:18])[n:14]1.[CH3:2][CH2:3][O-:4].[CH3:61][CH2:62][OH:63].[Na+:1]>>[OH:8][CH2:9][c:10]1[n:11]([CH2:24][c:25]2[cH:26][cH:27][c:28](-[c:31]3[c:32](-[c:37]4[n:38][n:39][n:40][n:41]4[C:42]([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)([c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[c:55]4[cH:56][cH:57][cH:58][cH:59][cH:60]4)[cH:33][cH:34][cH:35][cH:36]3)[cH:29][cH:30]2)[c:12]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:13]([C:15]([CH3:16])([CH3:17])[OH:18])[n:14]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 1194401-Hydroxyethyl radicalHCID 19036200HCID 19036200, compound

Product 1

HCID 19036262HCID 19036262, compound

Sources & evidence

ORD record
ord-36696161e50a44a1a140063e8c411fc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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