Acetic Acid → HCID 58859150, compound

HRID 1204393Notes

Reaction equation

HRID 1204393 reaction equation
[C:16]([O:17][BH-:18]([O:19][C:20](=[O:21])[CH3:22])[O:23][C:24](=[O:25])[CH3:26])(=[O:27])[CH3:28].[C:30](=[O:31])([O-:32])[OH:33].[CH3:12][C:13](=[O:14])[OH:15].[CH:45]([Cl:46])([Cl:47])[Cl:48].[Cl:35][c:36]1[cH:37][c:38]([CH:39]=[O:40])[cH:41][cH:42][c:43]1[Cl:44].[NH2:1][CH2:2][CH2:3][NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11].[Na+:29].[Na+:34]>>[NH:1]([CH2:2][CH2:3][NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[CH2:39][c:38]1[cH:37][c:36]([Cl:35])[c:43]([Cl:44])[cH:42][cH:41]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 227103,4-DichlorobenzaldehydeHCID 187201N-BOC-ethylenediamineHCID 2724942Triacetoxyborohydride

Product 1

HCID 58859150HCID 58859150, compound

Sources & evidence

ORD record
ord-a5b9b12bd5ec471eb9ac90d57ee42971
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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