Acetic Acid → HCID 57849517, compound

HRID 308429Notes

Reaction equation

HRID 308429 reaction equation
[C:27]([O:28][BH-:29]([O:30][C:37](=[O:31])[CH3:38])[O:32][C:33](=[O:34])[CH3:35])(=[O:36])[CH3:39].[CH3:41][C:42](=[O:43])[OH:44].[CH3:49][C:50](=[O:51])[CH3:52].[Cl:45][CH:46]([Cl:47])[CH3:48].[Cl:53][CH2:54][Cl:55].[Na+:40].[c:1]1([CH:7]2[CH2:8][N:9]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[CH2:10][CH2:11][NH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[CH2:8][N:9]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[CH2:10][CH2:11][N:12]2[CH:37]([CH3:38])[CH3:41])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium ionHCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 57849503HCID 57849503, compound

Product 1

HCID 57849517HCID 57849517, compound

Sources & evidence

ORD record
ord-1da6fdbc785d4bfd8b621fa74f419db2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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