Acetate → HCID 178471334, compound

HRID 306945

Reaction equation

HRID 306945 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16]([CH:17]1[N:18]([C:22]([CH:23]([NH2:24])[CH3:25])=[O:26])[CH2:19][CH2:20][CH2:21]1)=[O:27].[C:1]([BH3-:2])#[N:3].[C:5]([OH:6])(=[O:7])[C:8]([OH:9])=[O:10].[CH2:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[O:40][C:41](=[O:42])[N:43]1[CH2:44][CH2:45][CH:46]([CH2:49][CH2:50][CH2:51][CH2:52][C:53]([C:54](=[O:55])[O:56][CH2:57][CH3:58])=[O:59])[CH2:47][CH2:48]1.[CH3:29][C:30](=[O:31])[O-:32].[CH3:60][CH2:61][OH:62].[CH3:63][C:64](=[O:65])[OH:66].[Na+:28].[Na+:4]>>[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16]([CH:17]1[N:18]([C:22]([CH:23]([NH:24][CH:53]([CH2:52][CH2:51][CH2:50][CH2:49][CH:46]2[CH2:45][CH2:44][N:43]([C:41]([O:40][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)=[O:42])[CH2:48][CH2:47]2)[C:54](=[O:55])[O:56][CH2:57][CH3:58])[CH3:25])=[O:26])[CH2:19][CH2:20][CH2:21]1)=[O:27]

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ion2×HCID 971Oxalic AcidHCID 498716Cyano-borohydrideHCID 12939799Tert-butyl 1-(2-aminopropanoyl)pyrrolidine-2-carboxylateHCID 13817563Ethyl 6-(1-benzyloxycarbonyl-4-piperidyl)-2-oxohexanoate

Product 1

HCID 178471334HCID 178471334, compound

Sources & evidence

ORD record
ord-c131f10d8a5d4a108cc29c90c81c6a5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

Loading…