Acetic Acid → HCID 178518352, compound

HRID 2326487Notes

Reaction equation

HRID 2326487 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:51](=[O:52])([OH:53])[O-:54].[CH2:63]([Cl:64])[Cl:65].[CH3:47][C:48](=[O:49])[OH:50].[CH3:56][N:57]1[CH2:58][CH2:59][CH2:60][C:61]1=[O:62].[CH:42]1([CH:45]=[O:46])[CH2:43][CH2:44]1.[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+:55]>>[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]([CH2:45][CH:42]3[CH2:43][CH2:44]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 123114CyclopropanecarboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 178518348HCID 178518348, compound

Product 1

HCID 178518352HCID 178518352, compound

Sources & evidence

ORD record
ord-ffd07b441f984c52b7f38f934433ea5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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