Ethanol → HCID 66777357, compound

HRID 2311821Notes

Reaction equation

HRID 2311821 reaction equation
[CH3:53][CH2:54][OH:55].[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][c:15]([NH:18][S:19](=[O:20])(=[O:21])[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:16][cH:17]3)[NH:28][c:29]2[cH:30][cH:31][c:32]([C:35](=[O:36])[N:37]([CH2:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH3:45])[cH:33][cH:34]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:52].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:51]>>[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][c:15]([NH:18][S:19](=[O:20])(=[O:21])[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:16][cH:17]3)[NH:28][c:29]2[cH:30][cH:31][c:32]([C:35](=[O:36])[N:37]([CH2:38][CH2:39][C:40](=[O:41])[OH:42])[CH3:45])[cH:33][cH:34]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 66778378HCID 66778378, compound

Product 1

HCID 66777357HCID 66777357, compound

Sources & evidence

ORD record
ord-682100a53c9f40289d89d876df6b593d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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