Acetaldehyde → HCID 178463263, compound

HRID 1144427Notes

Reaction equation

HRID 1144427 reaction equation
[BH4-:37].[CH3:49][OH:50].[CH:34]([CH3:35])=[O:36].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[nH:9][c:10](-[c:21]3[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]3)[c:11]([C:13](=[O:14])[NH:15][c:16]3[s:17][cH:18][cH:19][n:20]3)[n:12]2)[cH:6][cH:7]1.[Na+:38].[Na+:39].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH:40][C:41](=[O:42])[O-:43].[S:29](=[O:30])(=[O:31])([OH:32])[OH:33]>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[nH:9][c:10](-[c:21]3[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]3)[c:11]([C:13](=[O:14])[NH:15][c:16]3[s:17][cH:18][cH:19][n:20]3)[n:12]2)[cH:6][cH:7]1)[CH2:34][CH3:35]

Participants

9

Reactant 8

HCID 177AcetaldehydeHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 1118Sulfuric AcidHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 178489037HCID 178489037, compound

Product 1

HCID 178463263HCID 178463263, compound

Sources & evidence

ORD record
ord-37ebe7650b5b41a29decb17b2ae3ab47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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