Acetic Acid → HCID 67011601, compound

HRID 679150Notes

Reaction equation

HRID 679150 reaction equation
[C:44]([BH3-:45])#[N:46].[CH3:48][C:49](=[O:50])[OH:51].[CH3:52][OH:53].[CH:32](=[O:33])[c:34]1[cH:35][cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43]1.[Na+:47].[c:1]1([S:7](=[O:8])(=[O:9])[C:10]([c:11]2[n:12][c:13]([CH2:16][NH2:17])[n:14][o:15]2)([F:18])[CH:19]2[CH2:20][c:21]3[c:22]([nH:23][c:24]4[cH:25][cH:26][c:27]([Cl:30])[cH:28][c:29]34)[CH2:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[C:10]([c:11]2[n:12][c:13]([CH2:16][NH:17][CH2:32][c:34]3[cH:35][cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43]3)[n:14][o:15]2)([F:18])[CH:19]2[CH2:20][c:21]3[c:22]([nH:23][c:24]4[cH:25][cH:26][c:27]([Cl:30])[cH:28][c:29]34)[CH2:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 15294Methyl 4-FormylbenzoateHCID 498716Cyano-borohydrideHCID 11453978HCID 11453978, compound

Product 1

HCID 67011601HCID 67011601, compound

Sources & evidence

ORD record
ord-48c18ed75e294815981c87106a9a16ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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