Acetic Acid → HCID 22708149, compound

Reaction equation

[C:28]([BH3-:29])#[N:30].[CH3:33][OH:34].[CH3:35][C:36](=[O:37])[OH:38].[CH:21]([c:22]1[cH:23][cH:24][cH:25][o:26]1)=[O:27].[ClH:32].[NH2:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([S:10][C:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])([CH3:19])[CH3:20])[cH:8][cH:9]1.[Na+:31]>>[NH:1]([CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([S:10][C:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])([CH3:19])[CH3:20])[cH:8][cH:9]1)[CH2:21][c:22]1[cH:23][cH:24][cH:25][o:26]1

Participants

Reactant 7

HCID 176Acetic Acid

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 923Sodium Ion

HCID 7362Furfural

HCID 498716Cyano-borohydride

HCID 11623510Tert-butyl 2-(4-(2-aminoethyl)phenylthio)-2-methylpropanoate

Product 1

Sources & evidence

ORD record: ord-4d48580195234027b7444ab3f2e75419
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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