Ethanol → HCID 178501699, compound

HRID 697818Notes

Reaction equation

HRID 697818 reaction equation
[BH4-:48].[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([CH:7]([NH:8][C:9]([CH2:10][CH:11]1[C:12](=[O:38])[CH:13]([CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH:14]=[C:15]([CH:18]([CH3:19])[NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:16][CH2:17]1)=[O:39])[CH:40]([CH3:41])[CH3:42])=[O:43])[CH:44]([CH3:45])[CH3:46])=[O:47].[CH3:50][CH2:51][OH:52].[Na+:49]>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([CH:7]([NH:8][C:9]([CH2:10][CH:11]1[CH:12]([OH:38])[CH:13]([CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH:14]=[C:15]([CH:18]([CH3:19])[NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:16][CH2:17]1)=[O:39])[CH:40]([CH3:41])[CH3:42])=[O:43])[CH:44]([CH3:45])[CH3:46])=[O:47]

Participants

5

Sources & evidence

ORD record
ord-5caf896792d948739468fdbf4851c422
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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