Acetic Acid → HCID 69436029, compound

HRID 1573696Notes

Reaction equation

HRID 1573696 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][cH:17][c:18]([NH:21][CH:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:19][cH:20]1.[CH3:28][C:29](=[O:30])[OH:31].[CH3:32][N:33]1[CH2:34][CH2:35][C:36](=[O:39])[CH2:37][CH2:38]1.[Cl:56][CH:57]([Cl:58])[CH3:59].[Na+:53].[Na+:55].[OH-:54]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][cH:17][c:18]([NH:21][CH:22]2[CH2:23][CH2:24][N:25]([CH:36]3[CH2:35][CH2:34][N:33]([CH3:32])[CH2:38][CH2:37]3)[CH2:26][CH2:27]2)[cH:19][cH:20]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 63651,1-DichloroethaneHCID 740491-Methyl-4-piperidoneHCID 2724942TriacetoxyborohydrideHCID 23156153HCID 23156153, compound

Product 1

HCID 69436029HCID 69436029, compound

Sources & evidence

ORD record
ord-74b4e4b2459d4a6abd579dccb1afd75b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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