Acetic Acid → HCID 67102055, compound

HRID 672956Notes

Reaction equation

HRID 672956 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].[CH3:29][C:30]([CH3:31])=[O:32].[CH3:33][C:34](=[O:35])[OH:36].[Cl:51][CH2:52][Cl:53].[NH:1]1[CH2:2][CH2:3][CH:4]([O:7][c:8]2[cH:9][cH:10][c:11]3[cH:12][n:13][c:14]([NH:18][c:19]4[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]4)[n:15][c:16]3[cH:17]2)[CH2:5][CH2:6]1.[Na+:50]>>[N:1]1([CH:30]([CH3:29])[CH3:31])[CH2:2][CH2:3][CH:4]([O:7][c:8]2[cH:9][cH:10][c:11]3[cH:12][n:13][c:14]([NH:18][c:19]4[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]4)[n:15][c:16]3[cH:17]2)[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 67102123HCID 67102123, compound

Product 1

HCID 67102055HCID 67102055, compound

Sources & evidence

ORD record
ord-5aeb91beef2b4b30b05f652f59184017
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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