Acetic Acid → HCID 178464210, compound

HRID 1205332Notes

Reaction equation

HRID 1205332 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][NH:11][CH2:12][CH:13]([CH2:14][O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:31][O:32][CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH3:57][C:58](=[O:59])[OH:60].[CH:40]([CH3:41])=[O:42].[Cl:61][CH:62]([Cl:63])[CH3:64].[Cl:65][CH2:66][Cl:67].[Na+:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][N:11]([CH2:12][CH:13]([CH2:14][O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:40][CH3:41])[CH2:31][O:32][CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 923Sodium ionHCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 178453688HCID 178453688, compound

Product 1

HCID 178464210HCID 178464210, compound

Sources & evidence

ORD record
ord-2f4d1dfba83d4bdaa3438bc83fb7f926
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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