Acetic Acid → HCID 54401251, compound

HRID 1116872Notes

Reaction equation

HRID 1116872 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][cH:6][n:7]1.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:13][O:14][N:15]([C:16](=[O:17])[CH:18]([CH2:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[NH:27][C:28](=[O:29])[CH:30]([CH2:31][CH:32]([CH3:33])[CH3:34])[NH:35][C:36]([O:37][CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)=[O:45])[CH3:46].[CH3:47][C:48](=[O:49])[OH:50].[CH3:56][CH2:57][CH2:58][CH2:59][CH3:60].[CH3:61][CH2:62][O:63][CH2:64][CH3:65]>>[c:2]1([C:16](=[O:17])[CH:18]([CH2:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[NH:27][C:28](=[O:29])[CH:30]([CH2:31][CH:32]([CH3:33])[CH3:34])[NH:35][C:36]([O:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)=[O:45])[cH:3][cH:4][cH:5][cH:6][n:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 3283Diethyl EtherHCID 79732-BromopyridineHCID 8003PentaneHCID 8028TetrahydrofuranHCID 54260837HCID 54260837, compoundHCID 178418339Butyllithium

Product 1

HCID 54401251HCID 54401251, compound

Sources & evidence

ORD record
ord-33c85388c24c44748777b8a1889a7d73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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