Acetic Acid → HCID 178456345, compound

HRID 2312690Notes

Reaction equation

HRID 2312690 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:50](=[O:51])([OH:52])[O-:53].[CH2:62]([Cl:63])[Cl:64].[CH3:46][C:47](=[O:48])[OH:49].[CH3:55][N:56]1[CH2:57][CH2:58][CH2:59][C:60]1=[O:61].[CH:42]([CH2:43][CH3:44])=[O:45].[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+:54]>>[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]([CH2:42][CH2:43][CH3:44])[CH2:26][CH2:27]2)[cH:20][cH:21]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 527PropanalHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 13387N-methyl-2-pyrrolidoneHCID 2724942TriacetoxyborohydrideHCID 178518348HCID 178518348, compound

Product 1

HCID 178456345HCID 178456345, compound

Sources & evidence

ORD record
ord-e368494523e64808bad9ad2534887edf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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