Acetic Acid → HCID 178451429, compound

HRID 2159591Notes

Reaction equation

HRID 2159591 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][NH:11][CH:12]([CH2:13]1)[CH2:14]2.[C:30]([BH3-:31])#[N:32].[C:34](=[O:35])([O-:36])[OH:37].[CH2:15]([O:16][C:18]1([O:17][Si:21]([CH3:22])([CH3:23])[CH3:24])[CH2:19][CH2:20]1)[CH3:25].[CH3:26][C:27](=[O:28])[OH:29].[CH3:39][OH:40].[Na+:33].[Na+:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][N:11]([CH:18]3[CH2:19][CH2:20]3)[CH:12]([CH2:13]1)[CH2:14]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 498716Cyano-borohydrideHCID 2734686(1-Ethoxycyclopropoxy)trimethylsilaneHCID 2760898(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate

Product 1

HCID 178451429HCID 178451429, compound

Sources & evidence

ORD record
ord-1e78b956e31b446f9d9585bd66338071
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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