Acetic Acid → HCID 178480399, compound

HRID 1228637Notes

Reaction equation

HRID 1228637 reaction equation
[C:28]([O:29][BH-:30]([O:31][C:32](=[O:33])[CH3:34])[O:35][C:36](=[O:37])[CH3:38])(=[O:39])[CH3:40].[C:54](=[O:55])([OH:56])[O-:57].[CH2:66]([Cl:67])[Cl:68].[CH3:42][N:43]1[CH2:44][CH2:45][C:46](=[O:49])[CH2:47][CH2:48]1.[CH3:50][C:51](=[O:52])[OH:53].[CH3:59][N:60]1[CH2:61][CH2:62][CH2:63][C:64]1=[O:65].[I:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][C:6](=[O:13])[C:5]2=[CH:14][NH:15][c:16]1[cH:17][cH:18][c:19]([N:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:20][cH:21]1.[Na+:41].[Na+:58]>>[I:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][C:6](=[O:13])[C:5]2=[CH:14][NH:15][c:16]1[cH:17][cH:18][c:19]([N:22]2[CH2:23][CH2:24][N:25]([CH:46]3[CH2:45][CH2:44][N:43]([CH3:42])[CH2:48][CH2:47]3)[CH2:26][CH2:27]2)[cH:20][cH:21]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 13387N-methyl-2-pyrrolidoneHCID 740491-Methyl-4-piperidoneHCID 2724942TriacetoxyborohydrideHCID 178518348HCID 178518348, compound

Product 1

HCID 178480399HCID 178480399, compound

Sources & evidence

ORD record
ord-fae65c666787415ea2f486606178562d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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