Acetic Acid → HCID 87264732, compound

HRID 2131073Notes

Reaction equation

HRID 2131073 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:1][O:2][c:3]1[c:4]2[c:9]([cH:10][cH:11][c:12]1[CH3:13])[CH:8]([CH2:14][NH:15][CH:16]=[O:17])[O:7][CH:6]([CH:18]1[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1)[CH2:5]2.[CH3:53][C:54](=[O:55])[OH:56].[CH:24](=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Cl:32][CH:33]([Cl:34])[CH3:35].[Na+:49].[Na+:51].[OH-:50].[OH2:52]>>[CH3:1][O:2][c:3]1[c:4]2[c:9]([cH:10][cH:11][c:12]1[CH3:13])[CH:8]([CH2:14][NH:15][CH:16]=[O:17])[O:7][CH:6]([CH:18]1[CH2:19][CH2:20][N:21]([CH2:24][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:22][CH2:23]1)[CH2:5]2

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 73064906HCID 73064906, compound

Product 1

HCID 87264732HCID 87264732, compound

Sources & evidence

ORD record
ord-db5dbe2f9efe4c9296a23f8da1d43d61
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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