Acetic Acid → HCID 22339741, compound

HRID 2148694Notes

Reaction equation

HRID 2148694 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH2:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[CH3:27][C:28](=[O:29])[OH:30].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH3:59][OH:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl:1][c:2]1[cH:3][c:4](-[n:19]2[n:20][cH:21][c:22](=[O:26])[nH:23][c:24]2=[O:25])[cH:5][c:6]([Cl:18])[c:7]1[O:8][c:9]1[cH:10][c:11]([CH:16]=[O:17])[c:12]([OH:15])[cH:13][cH:14]1.[Cl:51][CH2:52][Cl:53].[Na+:50]>>[Cl:1][c:2]1[cH:3][c:4](-[n:19]2[n:20][cH:21][c:22](=[O:26])[nH:23][c:24]2=[O:25])[cH:5][c:6]([Cl:18])[c:7]1[O:8][c:9]1[cH:10][c:11]([CH2:16][N:34]2[CH2:33][CH2:32][CH2:31][CH2:36][CH2:35]2)[c:12]([OH:15])[cH:13][cH:14]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 22339462HCID 22339462, compound

Product 1

HCID 22339741HCID 22339741, compound

Sources & evidence

ORD record
ord-dd93b113553840f09fc1d5be409d4666
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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