Acetic Acid → HCID 58508578, compound

HRID 2138472Notes

Reaction equation

HRID 2138472 reaction equation
[C:8]([O:9][BH-:10]([O:11][C:12](=[O:13])[CH3:14])[O:15][C:16](=[O:17])[CH3:18])(=[O:19])[CH3:20].[CH2:57]([Cl:58])[Cl:59].[CH3:4][C:5](=[O:6])[OH:7].[CH:1]([CH3:2])=[O:3].[Na+:21].[OH:22][c:23]1[c:24]([C:25](=[O:26])[NH:27][c:28]2[c:29]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[cH:37][cH:38][c:39](-[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[cH:40]2)[cH:47][c:48]([CH:51]2[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]2)[cH:49][cH:50]1>>[CH2:1]([CH3:2])[N:54]1[CH2:53][CH2:52][CH:51]([c:48]2[cH:47][c:24]([C:25](=[O:26])[NH:27][c:28]3[c:29]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[cH:37][cH:38][c:39](-[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[cH:40]3)[c:23]([OH:22])[cH:50][cH:49]2)[CH2:56][CH2:55]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 58508443HCID 58508443, compound

Product 1

HCID 58508578HCID 58508578, compound

Sources & evidence

ORD record
ord-e15b4e09ee8241649dcad79e1a1c6321
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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