Ethanol → HCID 17822716, compound

HRID 199873Notes

Reaction equation

HRID 199873 reaction equation
[CH2:1]([CH3:2])[CH:3]([N:4]([C:5](=[O:6])[c:7]1[cH:8][n:9][n:10](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[cH:11]1)[c:19]1[cH:20][c:21]([C:31]#[N:32])[c:22]([O:25][CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:23][cH:24]1)[C:33](=[O:34])[OH:35].[CH3:38][CH2:39][OH:40].[Na+:37].[OH-:36]>>[CH2:3]([N:4]([C:5](=[O:6])[c:7]1[cH:8][n:9][n:10](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[cH:11]1)[c:19]1[cH:20][c:21]([C:31]#[N:32])[c:22]([O:25][CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:23][cH:24]1)[C:33](=[O:34])[OH:35]

Participants

5

Sources & evidence

ORD record
ord-3c87d87f20584fb89e76dd19d03b8f65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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