Acetate → HCID 67389047, compound

HRID 2313577Notes

Reaction equation

HRID 2313577 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].[CH3:14][C:15]1([CH3:40])[CH2:16][CH2:17][C:18](=[O:39])[CH:19]([CH2:21][N:22]2[CH2:23][CH2:24][N:25]([c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:37][cH:38]3)[CH2:26][CH2:27]2)[CH2:20]1.[CH3:42][C:43](=[O:44])[O-:45].[CH:2]12[CH:3]([CH2:12][NH2:13])[CH:4]3[CH2:5][CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2.[Cl:60][CH:61]([Cl:62])[CH3:63].[ClH:1].[Na+:41].[Na+:59]>>[CH:2]12[CH:3]([CH2:12][NH:13][CH:18]3[CH2:17][CH2:16][C:15]([CH3:14])([CH3:40])[CH2:20][CH:19]3[CH2:21][N:22]3[CH2:23][CH2:24][N:25]([c:28]4[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:37][cH:38]4)[CH2:26][CH2:27]3)[CH:4]3[CH2:5][CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2

Participants

8

Reactant 7

HCID 175AcetateHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 3038132-adamantylmethanamineHCID 2724942TriacetoxyborohydrideHCID 57474949HCID 57474949, compound

Product 1

HCID 67389047HCID 67389047, compound

Sources & evidence

ORD record
ord-258425388cce4e4a9984481a4074df2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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