Ethanol → HCID 25127164, compound

HRID 1146319Notes

Reaction equation

HRID 1146319 reaction equation
[CH2:39]1[O:40][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH2:51][CH2:52][O:53][CH2:54][CH2:55][O:41][CH2:56]1.[CH3:63][CH2:64][OH:65].[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62].[OH2:66].[OH:1][OH:2].[n:3]1([CH2:8][CH2:9][NH:10][c:11]2[n:12][cH:13][c:14]([F:38])[c:15](-[c:17]3[cH:18][c:19]4[c:20]([s:21]3)[c:22](-[c:26]3[c:27]([C:33]([C:34]#[N:35])([CH3:36])[CH3:37])[cH:28][cH:29][c:30]([F:32])[cH:31]3)[cH:23][cH:24][cH:25]4)[n:16]2)[n:4][n:5][cH:6][cH:7]1>>[n:3]1([CH2:8][CH2:9][NH:10][c:11]2[n:12][cH:13][c:14]([F:38])[c:15](-[c:17]3[cH:18][c:19]4[c:20]([s:21]3)[c:22](-[c:26]3[c:27]([C:33]([C:34]([NH2:35])=[O:41])([CH3:36])[CH3:37])[cH:28][cH:29][c:30]([F:32])[cH:31]3)[cH:23][cH:24][cH:25]4)[n:16]2)[n:4][n:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 702EthanolHCID 784Hydrogen PeroxideHCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 2855718-Crown-6HCID 25126511HCID 25126511, compound

Product 1

HCID 25127164HCID 25127164, compound

Sources & evidence

ORD record
ord-6451cf380d1849aca6dbe431a4bcd775
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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