Acetic Acid → HCID 57888629, compound

HRID 662589Notes

Reaction equation

HRID 662589 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH2:48]([Cl:49])[Cl:50].[CH3:29][c:30]1[c:31]([NH2:32])[c:33]([CH3:38])[cH:34][c:35]([CH3:37])[cH:36]1.[CH3:39][C:40](=[O:41])[OH:42].[Na+:14].[Na+:43].[O:15]=[C:16]1[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]1.[OH:44][C:45](=[O:46])[O-:47]>>[CH:16]1([NH:32][c:31]2[c:30]([CH3:29])[cH:36][c:35]([CH3:37])[cH:34][c:33]2[CH3:38])[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 69132,4,6-TrimethylanilineHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 2724942Triacetoxyborohydride

Product 1

HCID 57888629HCID 57888629, compound

Sources & evidence

ORD record
ord-acece069202c42bfb3008f5be2f01817
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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