Ethanol → HCID 178427214, compound

HRID 306853Notes

Reaction equation

HRID 306853 reaction equation
[CH2:52]([O:53][CH2:54][CH3:55])[CH3:56].[CH3:12][S:13]([OH:14])(=[O:15])=[O:16].[CH3:17][S:18]([OH:19])(=[O:20])=[O:21].[CH3:49][CH2:50][OH:51].[CH3:5][OH:6].[CH3:7][S:8](=[O:9])(=[O:10])[OH:11].[NH:22]([C:23](=[NH:24])[NH2:25])[c:26]1[c:27]([CH3:48])[cH:28][c:29]([C:30](=[O:31])[O:32][c:33]2[cH:34][c:35]3[cH:36][cH:37][c:38]([C:43]([NH2:44])=[NH:45])[cH:39][c:40]3[cH:41][cH:42]2)[cH:46][cH:47]1.[O-:1][C:2](=[O:3])[O-:4]>>[NH:22]([C:23](=[NH:24])[NH2:25])[c:26]1[c:27]([CH3:48])[cH:28][c:29]([C:30](=[O:31])[O:32][c:33]2[cH:34][c:35]3[cH:36][cH:37][c:38]([C:43](=[NH:44])[NH2:45])[cH:39][c:40]3[cH:41][cH:42]2)[cH:46][cH:47]1

Participants

7

Reactant 6

HCID 702EthanolHCID 887MethanolHCID 3283Diethyl EtherHCID 6395Methanesulfonic Acid3×HCID 19660Carbonate IonHCID 178427214HCID 178427214, compound

Product 1

HCID 178427214HCID 178427214, compound

Sources & evidence

ORD record
ord-e7b0225ad80543e1b5ed9e4b46a170cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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