Ethanol → HCID 59305016, compound

HRID 187705Notes

Reaction equation

HRID 187705 reaction equation
[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]([c:11]1[cH:12][c:13]([F:39])[c:14]([NH:18][c:19]2[c:20]3[c:21]([n:22][cH:23][cH:24]2)[n:25]([S:29]([c:30]2[cH:31][cH:32][c:33]([CH3:34])[cH:35][cH:36]2)(=[O:37])=[O:38])[cH:26][c:27]3[CH3:28])[c:15]([F:17])[cH:16]1)[CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][CH2:55][OH:56].[Na+:2].[OH-:1].[OH2:47]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]([c:11]1[cH:12][c:13]([F:39])[c:14]([NH:18][c:19]2[c:20]3[c:21]([n:22][cH:23][cH:24]2)[nH:25][cH:26][c:27]3[CH3:28])[c:15]([F:17])[cH:16]1)[CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 11556259HCID 11556259, compound

Product 1

HCID 59305016HCID 59305016, compound

Sources & evidence

ORD record
ord-44aaf85c89114218883fe009d7e21e1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…