Ethanol → HCID 59305034, compound

HRID 166930Notes

Reaction equation

HRID 166930 reaction equation
[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][CH2:42][OH:43].[F:3][c:4]1[cH:5][n:6]([S:24]([c:25]2[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]2)(=[O:32])=[O:33])[c:7]2[n:8][cH:9][cH:10][c:11]([NH:13][c:14]3[c:15]([F:23])[cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]3)[c:12]12.[Na+:2].[OH-:1].[OH2:34]>>[F:3][c:4]1[cH:5][nH:6][c:7]2[n:8][cH:9][cH:10][c:11]([NH:13][c:14]3[c:15]([F:23])[cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]3)[c:12]12

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 59304991HCID 59304991, compound

Product 1

HCID 59305034HCID 59305034, compound

Sources & evidence

ORD record
ord-6f06aaf3f07d4db2b3e573d57567c858
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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