Acetic Acid → HCID 24994436, compound

HRID 667463Notes

Reaction equation

HRID 667463 reaction equation
[C:23]1(=[O:27])[CH2:24][CH2:25][CH2:26]1.[C:28]([BH3-:29])#[N:30].[CH2:52]([Cl:53])[Cl:54].[CH3:32][C:33](=[O:34])[OH:35].[CH3:41][OH:42].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:49][CH2:50][OH:51].[F:1][c:2]1[cH:3][c:4]([C:16]2=[N:21][NH:20][C:19](=[O:22])[CH2:18][CH2:17]2)[cH:5][c:6]([F:15])[c:7]1[O:8][CH:9]1[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]1.[Na+:31].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[F:1][c:2]1[cH:3][c:4]([C:16]2=[N:21][NH:20][C:19](=[O:22])[CH2:18][CH2:17]2)[cH:5][c:6]([F:15])[c:7]1[O:8][CH:9]1[CH2:10][CH2:11][N:12]([CH:23]2[CH2:24][CH2:25][CH2:26]2)[CH2:13][CH2:14]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 702EthanolHCID 887MethanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8058HexaneHCID 14496CyclobutanoneHCID 498716Cyano-borohydrideHCID 59651988HCID 59651988, compound

Product 1

HCID 24994436HCID 24994436, compound

Sources & evidence

ORD record
ord-be3848ab1e66438aa335af6127161c94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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