Acetate → HCID 54204022, compound

HRID 89932Notes

Reaction equation

HRID 89932 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([CH2:17][c:18]2[cH:19][c:20]([O:35][CH3:36])[c:21]([NH:24][C:25](=[O:26])[NH:27][c:28]3[c:29]([CH3:34])[cH:30][cH:31][cH:32][cH:33]3)[cH:22][cH:23]2)=[O:37])[cH:13][cH:14]1)[NH2:38])=[O:39].[C:50]([BH3-:51])#[N:52].[C:55](=[O:56])([O-:57])[O-:58].[CH3:46][C:47](=[O:48])[O-:49].[CH3:61][OH:62].[CH:40]([CH2:41][CH2:42][CH3:43])=[O:44].[ClH:54].[K+:59].[K+:60].[Na+:45].[Na+:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([CH2:17][c:18]2[cH:19][c:20]([O:35][CH3:36])[c:21]([NH:24][C:25](=[O:26])[NH:27][c:28]3[c:29]([CH3:34])[cH:30][cH:31][cH:32][cH:33]3)[cH:22][cH:23]2)=[O:37])[cH:13][cH:14]1)[NH:38][CH2:40][CH2:41][CH2:42][CH3:43])=[O:39]

Participants

10

Reactant 9

HCID 175AcetateHCID 261ButanalHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 887MethanolHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 498716Cyano-borohydrideHCID 53940188HCID 53940188, compound

Product 1

HCID 54204022HCID 54204022, compound

Sources & evidence

ORD record
ord-f7d4847b45294c76bcc479fe9ebf54c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…