Ethanol → HCID 66778972, compound

HRID 2127230Notes

Reaction equation

HRID 2127230 reaction equation
[CH3:1][N:2]([CH2:3][CH2:4][C:5](=[O:6])[O:7][CH2:8][CH3:9])[C:10](=[O:11])[c:12]1[cH:13][cH:14][c:15]([NH:18][CH:19]([CH:20]([CH3:21])[CH3:22])[c:23]2[o:24][c:25]3[c:26]([c:27]2[CH3:28])[cH:29][c:30]([O:33][CH:34]2[CH2:35][CH2:36][S:37][CH2:38][CH2:39]2)[cH:31][cH:32]3)[cH:16][cH:17]1.[CH3:42][CH2:43][OH:44].[Na+:41].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:40]>>[CH3:1][N:2]([CH2:3][CH2:4][C:5](=[O:6])[OH:7])[C:10](=[O:11])[c:12]1[cH:13][cH:14][c:15]([NH:18][CH:19]([CH:20]([CH3:21])[CH3:22])[c:23]2[o:24][c:25]3[c:26]([c:27]2[CH3:28])[cH:29][c:30]([O:33][CH:34]2[CH2:35][CH2:36][S:37][CH2:38][CH2:39]2)[cH:31][cH:32]3)[cH:16][cH:17]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 66777859HCID 66777859, compound

Product 1

HCID 66778972HCID 66778972, compound

Sources & evidence

ORD record
ord-fa9ae19160844993a02e2f9fe90d35ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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