Acetic Acid → HCID 57802999, compound

HRID 2339210Notes

Reaction equation

HRID 2339210 reaction equation
[BH4-:35].[CH3:31][C:32](=[O:33])[OH:34].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:44][CH2:45][OH:46].[N+:20](=[O:21])([O-:22])[c:23]1[cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29][cH:30]1.[Na+:36].[OH2:43].[c:1]1(-[c:7]2[cH:8][s:9][c:10]3[n:11][cH:12][n:13][c:14]([NH:16][CH2:17][CH2:18][NH2:19])[c:15]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][s:9][c:10]3[n:11][cH:12][n:13][c:14]([NH:16][CH2:17][CH2:18][NH:19][CH2:26][c:25]4[cH:24][c:23]([N+:20](=[O:21])[O-:22])[cH:30][cH:29][cH:28]4)[c:15]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 74493-NitrobenzaldehydeHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 2796098HCID 2796098, compound

Product 1

HCID 57802999HCID 57802999, compound

Sources & evidence

ORD record
ord-d52714262cc14ea494a63aae26b059e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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