Acetic Acid → HCID 24829867, compound

HRID 2330133Notes

Reaction equation

HRID 2330133 reaction equation
[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH2:44]=[O:45].[CH3:1][n:2]1[n:3][cH:4][c:5](-[c:7]2[cH:8][c:9]3[c:10]([n:11](-[c:14]4[cH:15][c:16]([O:22][CH:23]([CH3:24])[c:25]5[cH:26][c:27]([O:31][CH:32]6[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]6)[cH:28][cH:29][cH:30]5)[c:17]([C:19](=[O:20])[NH2:21])[s:18]4)[cH:12][n:13]3)[cH:38][cH:39]2)[cH:6]1.[CH3:40][C:41](=[O:42])[OH:43].[CH3:65][OH:66].[Cl:62][CH2:63][Cl:64].[Na+:59].[Na+:61].[OH-:60]>>[CH3:1][n:2]1[n:3][cH:4][c:5](-[c:7]2[cH:8][c:9]3[c:10]([n:11](-[c:14]4[cH:15][c:16]([O:22][CH:23]([CH3:24])[c:25]5[cH:26][c:27]([O:31][CH:32]6[CH2:33][CH2:34][N:35]([CH3:40])[CH2:36][CH2:37]6)[cH:28][cH:29][cH:30]5)[c:17]([C:19](=[O:20])[NH2:21])[s:18]4)[cH:12][n:13]3)[cH:38][cH:39]2)[cH:6]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 24829866HCID 24829866, compound

Product 1

HCID 24829867HCID 24829867, compound

Sources & evidence

ORD record
ord-4c09b463a2b74b879fc3dfc510ee997b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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