Acetic Acid → HCID 66757894, compound

HRID 2150699Notes

Reaction equation

HRID 2150699 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([NH:13][CH2:14][CH2:15][C:16](=[O:17])[O:18][CH3:19])[CH2:11][CH2:12]1.[C:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[CH3:43][C:44](=[O:45])[OH:46].[Cl:20][c:21]1[cH:22][cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28]1.[Cl:47][CH:48]([Cl:49])[CH3:50].[Na+:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([N:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][CH3:19])[CH2:25][c:24]2[cH:23][cH:22][c:21]([Cl:20])[cH:28][cH:27]2)[CH2:11][CH2:12]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 77264-ChlorobenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 66758289HCID 66758289, compound

Product 1

HCID 66757894HCID 66757894, compound

Sources & evidence

ORD record
ord-22362f0794d44384af7d3ae1382562ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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