Acetic Acid → HCID 44177215, compound

HRID 186922Notes

Reaction equation

HRID 186922 reaction equation
[C:23]1(=[O:27])[CH2:24][CH2:25][CH2:26]1.[C:28]([BH3-:29])#[N:30].[CH2:43]([Cl:44])[Cl:45].[CH3:32][C:33](=[O:34])[OH:35].[CH3:41][OH:42].[N:1]1=[C:6]([c:7]2[cH:8][cH:9][c:10]3[c:11]([cH:21]2)[CH2:12][CH2:13][C:14]2([O:15]3)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[CH2:5][CH2:4][C:3](=[O:22])[NH:2]1.[Na+:31].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[N:1]1=[C:6]([c:7]2[cH:8][cH:9][c:10]3[c:11]([cH:21]2)[CH2:12][CH2:13][C:14]2([O:15]3)[CH2:16][CH2:17][N:18]([CH:23]3[CH2:24][CH2:25][CH2:26]3)[CH2:19][CH2:20]2)[CH2:5][CH2:4][C:3](=[O:22])[NH:2]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 14496CyclobutanoneHCID 498716Cyano-borohydrideHCID 59589012HCID 59589012, compound

Product 1

HCID 44177215HCID 44177215, compound

Sources & evidence

ORD record
ord-27aa0f87a00e4a4892ba3fa56192bdea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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