Acetic Acid → HCID 68779815, compound

HRID 1121700Notes

Reaction equation

HRID 1121700 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[C:6]([BH3-:7])#[N:8].[CH3:42][OH:43].[CH3:44][C:45](=[O:46])[OH:47].[CH:1]([CH2:2][CH2:3][CH3:4])=[O:5].[Cl:10][c:11]1[cH:12][c:13]([CH2:18][C:19](=[O:20])[N:21]2[CH2:22][CH2:23][NH:24][CH:25]3[CH2:26][CH2:27][CH2:28][CH:29]([N:31]4[CH2:32][CH2:33][CH2:34][CH2:35]4)[CH:30]23)[cH:14][cH:15][c:16]1[Cl:17].[Na+:40].[Na+:41].[Na+:9]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:24]1[CH2:23][CH2:22][N:21]([C:19]([CH2:18][c:13]2[cH:12][c:11]([Cl:10])[c:16]([Cl:17])[cH:15][cH:14]2)=[O:20])[CH:30]2[CH:25]1[CH2:26][CH2:27][CH2:28][CH:29]2[N:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 261ButanalHCID 887MethanolHCID 923Sodium ion3×HCID 19660Carbonate IonHCID 498716Cyano-borohydrideHCID 687760732-(3,4-dichlorophenyl)-1-[(4aRS,8SR,8aRS)-8-(pyrrolidin-1-yl)-perhydroquinoxalin-1-yl]-ethan-1-one

Product 1

HCID 68779815HCID 68779815, compound

Sources & evidence

ORD record
ord-b3a121d119ed452e849f73d923fff81e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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