Acetic Acid → HCID 68585790, compound

HRID 681347Notes

Reaction equation

HRID 681347 reaction equation
[C:31]([BH3-:32])#[N:33].[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[o:8][c:9]2[c:10]([n:11]1)[c:12]([C:29]#[N:30])[c:13]([CH3:28])[c:14](-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:15]2[N:16]1[CH2:17][CH:18]([NH:20][CH3:21])[CH2:19]1.[CH2:1]=[O:2].[CH3:35][C:36](=[O:37])[OH:38].[CH3:45][OH:46].[Na+:34].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[o:8][c:9]2[c:10]([n:11]1)[c:12]([C:29]#[N:30])[c:13]([CH3:28])[c:14](-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:15]2[N:16]1[CH2:17][CH:18]([N:20]([CH3:21])[CH3:31])[CH2:19]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ion3×HCID 19660Carbonate IonHCID 498716Cyano-borohydrideHCID 685840002-tert-Butyl-5-methyl-7-(3-methylaminoazetidin-1-yl)-6-phenyl-1,3-benzoxazole-4-carbonitrile

Product 1

HCID 68585790HCID 68585790, compound

Sources & evidence

ORD record
ord-cb82f34377724677911ea4297f3d9996
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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