Acetic Acid → HCID 59259056, compound

HRID 1535668Notes

Reaction equation

HRID 1535668 reaction equation
[C:31]([OH:32])(=[O:33])[CH3:34].[C:35]([BH3-:36])#[N:37].[CH3:39][OH:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH:23](=[O:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[NH2:1][c:2]1[c:3]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH:20]3[CH2:21][CH2:22]3)[cH:18][cH:19]2)[cH:4][c:5]([O:8][CH2:9][C:10]#[CH:11])[cH:6][cH:7]1.[Na+:38].[OH2:47]>>[NH:1]([c:2]1[c:3]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH:20]3[CH2:21][CH2:22]3)[cH:18][cH:19]2)[cH:4][c:5]([O:8][CH2:9][C:10]#[CH:11])[cH:6][cH:7]1)[CH2:23][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 59259036HCID 59259036, compound

Product 1

HCID 59259056HCID 59259056, compound

Sources & evidence

ORD record
ord-f52766e911aa4979aa305cdce85d669a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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